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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2SC3=C(C1=O)C=CC(=C3)CC(=O)O

Isomeric SMILES

C1C2=CC=CC=C2SC3=C(C1=O)C=CC(=C3)CC(=O)O

InChI

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