3-(1-oxidanylcyclohexyl)carbonylbenzo[b][1]benzothiepine-5,6-dione

Systemtic Name: 3-(1-oxidanylcyclohexyl)carbonylbenzo[b][1]benzothiepine-5,6-dione Openeye Name: 3-(1-hydroxycyclohexanecarbonyl)benzo[b][1]benzothiepine-5,6-dione CAS Name: 3-[(1-hydroxycyclohexyl)-oxomethyl]benzo[b][1]benzothiepin-5,6-dione IUPAC Name: 3-(1-hydroxycyclohexanecarbonyl)benzo[b][1]benzothiepine-5,6-dione Traditional Name: 3-(1-hydroxycyclohexanecarbonyl)benzo[b][1]benzothiepin-5,6-quinone Formula: C21H18O4S MolecularWeight: 366.43022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)C3=O)O

Isomeric SMILES

C1CCC(CC1)(C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)C3=O)O

InChI

InChI=1S/C21H18O4S/c22-18-14-6-2-3-7-16(14)26-17-9-8-13(12-15(17)19(18)23)20(24)21(25)10-4-1-5-11-21/h2-3,6-9,12,25H,1,4-5,10-11H2