[11,11-bis(oxidanylidene)-3-sulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-9-yl]methanol

Systemtic Name: [11,11-bis(oxidanylidene)-3-sulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-9-yl]methanol Openeye Name: (11,11-dioxo-3-sulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-9-yl)methanol CAS Name: (3-mercapto-11,11-dioxo-5,6-dihydrobenzo[b][1]benzothiepin-9-yl)methanol IUPAC Name: (11,11-dioxo-3-sulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-9-yl)methanol Traditional Name: (11,11-diketo-3-mercapto-5,6-dihydrobenzo[b][1]benzothiepin-9-yl)methanol Formula: C15H14O3S2 MolecularWeight: 306.39986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)S)S(=O)(=O)C3=C1C=CC(=C3)CO

Isomeric SMILES

C1CC2=C(C=CC(=C2)S)S(=O)(=O)C3=C1C=CC(=C3)CO

InChI

InChI=1S/C15H14O3S2/c16-9-10-1-2-11-3-4-12-8-13(19)5-6-14(12)20(17,18)15(11)7-10/h1-2,5-8,16,19H,3-4,9H2