2-benzo[c][1]benzothiepin-11-ylethanoic acid

Systemtic Name: 2-benzo[c][1]benzothiepin-11-ylethanoic acid Openeye Name: 2-benzo[c][1]benzothiepin-11-ylacetic acid CAS Name: 2-(11-benzo[c][1]benzothiepinyl)acetic acid IUPAC Name: 2-benzo[c][1]benzothiepin-11-ylacetic acid Traditional Name: 2-benzo[c][1]benzothiepin-11-ylacetic acid Formula: C16H12O2S MolecularWeight: 268.33028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=CS2)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=CS2)CC(=O)O

InChI

InChI=1S/C16H12O2S/c17-16(18)9-14-12-6-2-1-5-11(12)10-19-15-8-4-3-7-13(14)15/h1-8,10H,9H2,(H,17,18)