2-[11,11-bis(oxidanylidene)benzo[b][1]benzothiepin-3-yl]ethanoic acid

Systemtic Name: 2-[11,11-bis(oxidanylidene)benzo[b][1]benzothiepin-3-yl]ethanoic acid Openeye Name: 2-(11,11-dioxobenzo[b][1]benzothiepin-3-yl)acetic acid CAS Name: 2-(11,11-dioxo-3-benzo[b][1]benzothiepinyl)acetic acid IUPAC Name: 2-(11,11-dioxobenzo[b][1]benzothiepin-3-yl)acetic acid Traditional Name: 2-(11,11-diketobenzo[b][1]benzothiepin-3-yl)acetic acid Formula: C16H12O4S MolecularWeight: 300.32908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(S2(=O)=O)C=CC(=C3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(S2(=O)=O)C=CC(=C3)CC(=O)O

InChI

InChI=1S/C16H12O4S/c17-16(18)10-11-5-8-15-13(9-11)7-6-12-3-1-2-4-14(12)21(15,19)20/h1-9H,10H2,(H,17,18)