2-(6-oxidanylidene-5H-benzo[b][1]benzothiepin-3-yl)ethanoic acid

Systemtic Name: 2-(6-oxidanylidene-5H-benzo[b][1]benzothiepin-3-yl)ethanoic acid Openeye Name: 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)acetic acid CAS Name: 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)acetic acid IUPAC Name: 2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)acetic acid Traditional Name: 2-(6-keto-5H-benzo[b][1]benzothiepin-3-yl)acetic acid Formula: C16H12O3S MolecularWeight: 284.32968

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)CC(=O)O)SC3=CC=CC=C3C1=O

Isomeric SMILES

C1C2=C(C=CC(=C2)CC(=O)O)SC3=CC=CC=C3C1=O

InChI

InChI=1S/C16H12O3S/c17-13-9-11-7-10(8-16(18)19)5-6-14(11)20-15-4-2-1-3-12(13)15/h1-7H,8-9H2,(H,18,19)