Molecule:100761: Difference between revisions
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molecule
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|moleculeKey=WKYXCCICHXAEHL-UHFFFAOYSA-N | |moleculeKey=WKYXCCICHXAEHL-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-02262415052D | ||
0 0 0 0 0 0 0 0 0 0 0 V3000 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
| Line 52: | Line 52: | ||
M V30 37 O 1.3719 -7.47944 0.0 0 | M V30 37 O 1.3719 -7.47944 0.0 0 | ||
M V30 38 O 13.4872 -7.46488 0.0 0 | M V30 38 O 13.4872 -7.46488 0.0 0 | ||
M V30 39 C 0. | M V30 39 C 0.505873 -6.97944 0.0 0 | ||
M V30 40 C | M V30 40 C 13.4872 -8.46488 0.0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
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M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=C1C(C2C=CC(OC)=CC=2)=CC2OC3C=C(C4C=CC(OC)=CC=4)C=CC=3N(C3=CC4C=CC=CC=4C=C3)C=2C=1 | |smiles=C1C(C2C=CC(OC)=CC=2)=CC2OC3C=C(C4C=CC(OC)=CC=4)C=CC=3N(C3=CC4C=CC=CC=4C=C3)C=2C=1 | ||
|inchi=1S/C36H27NO3/c1-38-31-15-8-25(9-16-31)28-12-19-33-35(22-28)40-36-23-29(26-10-17-32(39-2)18-11-26)13-20-34(36)37(33)30-14-7-24-5-3-4-6-27(24)21-30/h3-23H,1-2H3 | |inchi=1S/C36H27NO3/c1-38-31-15-8-25(9-16-31)28-12-19-33-35(22-28)40-36-23-29(26-10-17-32(39-2)18-11-26)13-20-34(36)37(33)30-14-7-24-5-3-4-6-27(24)21-30/h3-23H,1-2H3 | ||
Latest revision as of 15:06, 26 February 2024
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | 521.199093724 |
| Molecular formula | C36H27NO3 |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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