benzo[b][1]benzothiepine; ethanoic acid

Systemtic Name: benzo[b][1]benzothiepine; ethanoic acid Openeye Name: acetic acid; benzo[b][1]benzothiepine CAS Name: acetic acid; benzo[b][1]benzothiepin IUPAC Name: acetic acid; benzo[b][1]benzothiepine Traditional Name: acetic acid; benzo[b][1]benzothiepin Formula: C16H14O2S MolecularWeight: 270.34616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C2C(=C1)C=CC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)O.C1=CC=C2C(=C1)C=CC3=CC=CC=C3S2

InChI

InChI=1S/C14H10S.C2H4O2/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13;1-2(3)4/h1-10H;1H3,(H,3,4)