[3-methylsulfonyl-11,11-bis(oxidanylidene)benzo[b][1]benzothiepin-9-yl]methanol

Systemtic Name: [3-methylsulfonyl-11,11-bis(oxidanylidene)benzo[b][1]benzothiepin-9-yl]methanol Openeye Name: (3-methylsulfonyl-11,11-dioxo-benzo[b][1]benzothiepin-9-yl)methanol CAS Name: (3-methylsulfonyl-11,11-dioxo-9-benzo[b][1]benzothiepinyl)methanol IUPAC Name: (3-methylsulfonyl-11,11-dioxobenzo[b][1]benzothiepin-9-yl)methanol Traditional Name: (11,11-diketo-3-mesyl-benzo[b][1]benzothiepin-9-yl)methanol Formula: C16H14O5S2 MolecularWeight: 350.40936

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)S(=O)(=O)C3=C(C=CC(=C3)CO)C=C2

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)S(=O)(=O)C3=C(C=CC(=C3)CO)C=C2

InChI

InChI=1S/C16H14O5S2/c1-22(18,19)14-6-7-15-13(9-14)5-4-12-3-2-11(10-17)8-16(12)23(15,20)21/h2-9,17H,10H2,1H3