3,8-bis[(1-oxidanylcyclohexyl)carbonyl]benzo[b][1]benzothiepine-5,6-dione

Systemtic Name: 3,8-bis[(1-oxidanylcyclohexyl)carbonyl]benzo[b][1]benzothiepine-5,6-dione Openeye Name: 3,8-bis(1-hydroxycyclohexanecarbonyl)benzo[b][1]benzothiepine-5,6-dione CAS Name: 3,8-bis[(1-hydroxycyclohexyl)-oxomethyl]benzo[b][1]benzothiepin-5,6-dione IUPAC Name: 3,8-bis(1-hydroxycyclohexanecarbonyl)benzo[b][1]benzothiepine-5,6-dione Traditional Name: 3,8-bis(1-hydroxycyclohexanecarbonyl)benzo[b][1]benzothiepin-5,6-quinone Formula: C28H28O6S MolecularWeight: 492.58332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)C2=CC3=C(C=C2)SC4=C(C=C(C=C4)C(=O)C5(CCCCC5)O)C(=O)C3=O)O

Isomeric SMILES

C1CCC(CC1)(C(=O)C2=CC3=C(C=C2)SC4=C(C=C(C=C4)C(=O)C5(CCCCC5)O)C(=O)C3=O)O

InChI

InChI=1S/C28H28O6S/c29-23-19-15-17(25(31)27(33)11-3-1-4-12-27)7-9-21(19)35-22-10-8-18(16-20(22)24(23)30)26(32)28(34)13-5-2-6-14-28/h7-10,15-16,33-34H,1-6,11-14H2