2-benzo[b][1]benzothiepin-3-ylethanoic acid

Systemtic Name: 2-benzo[b][1]benzothiepin-3-ylethanoic acid Openeye Name: 2-benzo[b][1]benzothiepin-3-ylacetic acid CAS Name: 2-(3-benzo[b][1]benzothiepinyl)acetic acid IUPAC Name: 2-benzo[b][1]benzothiepin-3-ylacetic acid Traditional Name: 2-benzo[b][1]benzothiepin-3-ylacetic acid Formula: C16H12O2S MolecularWeight: 268.33028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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