2-[(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)sulfanyl]acetic acid CAS Name: 2-[(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)thio]acetic acid IUPAC Name: 2-[(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(11-keto-6H-benzo[c][1]benzothiepin-3-yl)thio]acetic acid Formula: C16H12O3S2 MolecularWeight: 316.39468

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)SCC(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)SCC(=O)O

InChI

InChI=1S/C16H12O3S2/c17-15(18)9-20-11-5-6-13-14(7-11)21-8-10-3-1-2-4-12(10)16(13)19/h1-7H,8-9H2,(H,17,18)