3-sulfanylbenzo[b][1]benzothiepine-9-carboxylic acid

Systemtic Name: 3-sulfanylbenzo[b][1]benzothiepine-9-carboxylic acid Openeye Name: 3-sulfanylbenzo[b][1]benzothiepine-9-carboxylic acid CAS Name: 3-mercapto-9-benzo[b][1]benzothiepincarboxylic acid IUPAC Name: 3-sulfanylbenzo[b][1]benzothiepine-9-carboxylic acid Traditional Name: 3-mercaptobenzo[b][1]benzothiepin-9-carboxylic acid Formula: C15H10O2S2 MolecularWeight: 286.3687

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC3=C(S2)C=CC(=C3)S)C(=O)O

Isomeric SMILES

C1=CC(=CC2=C1C=CC3=C(S2)C=CC(=C3)S)C(=O)O

InChI

InChI=1S/C15H10O2S2/c16-15(17)11-4-2-9-1-3-10-7-12(18)5-6-13(10)19-14(9)8-11/h1-8,18H,(H,16,17)