Molecule:100933: Difference between revisions
From ChemWiki
molecule
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|moleculeKey=QZZSAWGVHXXMID-UHFFFAOYSA-N | |moleculeKey=QZZSAWGVHXXMID-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO-05222412152D | |||
0 0 0 0 0 0 0 0 0 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
M V30 BEGIN CTAB | M V30 BEGIN CTAB | ||
M V30 COUNTS 22 24 0 0 0 | M V30 COUNTS 22 24 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C | M V30 1 C 3.89084 -3.52877 0.0 0 | ||
M V30 2 C 5. | M V30 2 C 5.51903 -3.52831 0.0 0 | ||
M V30 3 C | M V30 3 C 4.70648 -3.05818 0.0 0 | ||
M V30 4 C 5. | M V30 4 C 5.51903 -4.47019 0.0 0 | ||
M V30 5 C | M V30 5 C 3.89084 -4.47441 0.0 0 | ||
M V30 6 C | M V30 6 C 4.70853 -4.94021 0.0 0 | ||
M V30 7 C 6. | M V30 7 C 6.33473 -4.94115 0.0 0 | ||
M V30 8 C 7. | M V30 8 C 7.15043 -4.47023 0.0 0 | ||
M V30 9 C 7. | M V30 9 C 7.15043 -3.52835 0.0 0 | ||
M V30 10 C 6. | M V30 10 C 6.33473 -3.0574 0.0 0 | ||
M V30 11 O 6. | M V30 11 O 6.33474 -2.11641 0.0 0 | ||
M V30 12 O 6. | M V30 12 O 6.33473 -5.88214 0.0 0 | ||
M V30 13 C | M V30 13 C 7.96391 -3.05939 0.0 0 | ||
M V30 14 C | M V30 14 C 8.77991 -3.5302 0.0 0 | ||
M V30 15 C | M V30 15 C 7.9697 -4.94292 0.0 0 | ||
M V30 16 C | M V30 16 C 8.78198 -4.46733 0.0 0 | ||
M V30 17 N | M V30 17 N 7.96407 -2.11841 0.0 0 | ||
M V30 18 S | M V30 18 S 9.59421 -3.05869 0.0 0 | ||
M V30 19 O | M V30 19 O 8.88691 -1.8372 0.0 0 | ||
M V30 20 O | M V30 20 O 10.8157 -2.35139 0.0 0 | ||
M V30 21 O 10. | M V30 21 O 10.3015 -4.28017 0.0 0 | ||
M V30 22 Br | M V30 22 Br 7.9727 -5.8839 0.0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
M V30 1 | M V30 1 1 3 1 | ||
M V30 2 | M V30 2 1 4 2 | ||
M V30 3 | M V30 3 2 1 5 | ||
M V30 4 | M V30 4 2 2 3 | ||
M V30 5 | M V30 5 1 5 6 | ||
M V30 6 | M V30 6 2 6 4 | ||
M V30 7 1 4 7 | M V30 7 1 4 7 | ||
M V30 8 1 7 8 | M V30 8 1 7 8 | ||
M V30 9 | M V30 9 1 8 9 | ||
M V30 10 1 9 10 | M V30 10 1 9 10 | ||
M V30 11 1 10 2 | M V30 11 1 10 2 | ||
M V30 12 2 10 11 | M V30 12 2 10 11 | ||
M V30 13 2 7 12 | M V30 13 2 7 12 | ||
M V30 14 | M V30 14 1 14 13 | ||
M V30 15 | M V30 15 2 8 15 | ||
M V30 16 | M V30 16 2 13 9 | ||
M V30 17 | M V30 17 1 15 16 | ||
M V30 18 | M V30 18 2 16 14 | ||
M V30 19 1 13 17 | M V30 19 1 13 17 | ||
M V30 20 2 18 19 | M V30 20 2 18 19 | ||
| Line 70: | Line 70: | ||
M END | M END | ||
|smiles= | |smiles=C1=CC=C2C(=O)C3=C(Br)C=C(S(O)(=O)=O)C(N)=C3C(=O)C2=C1 | ||
|inchi | |inchi=1S/C14H8BrNO5S/c15-8-5-9(22(19,20)21)12(16)11-10(8)13(17)6-3-1-2-4-7(6)14(11)18/h1-5H,16H2,(H,19,20,21) | ||
|inchikey=QZZSAWGVHXXMID-UHFFFAOYSA-N | |inchikey=QZZSAWGVHXXMID-UHFFFAOYSA-N | ||
|width=200 | |width=200 | ||
Latest revision as of 11:16, 22 May 2024
| Properties | |
|---|---|
| CID | 22628 |
| CAS | 116-81-4 |
| IUPAC-Name | 1-azanyl-4-bromanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid |
| Abbreviation | n/a |
| Trivialname | Bromaminic acid |
| Exact mass | 380.93066 |
| Molecular formula | C14H8BrNO5S |
| LogP | n/a |
| Has vendors | true |
| Molecular role | n/a |
| Synonyms | Bromaminic acid, Bromamine acid, 1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, 1-Amino-4-Bromoanthraquinone-2-Sulphonic Acid, Alizarine Cyanol Grey G, 1-Amino-4-bromo-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid, 2-Anthracenesulfonic acid, 1-amino-4-bromo-9,10-dihydro-9,10-dioxo-, 1-AMINO-4-BROMOANTHRAQUINONE-2-SULFONIC ACID, 1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonic acid, SBZ7FUN4BK |
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Belongs to molecule collection: Molecule collection 100929
The molecule template was defined here: Photocatalytic CO2 reduction with aminoanthraquinone organic dyes
Molecule is used on following pages
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