3-cyano-1-(phenylsulfonyl)-2,3-dihydroindene-1-carboxylic acid

Systemtic Name: 3-cyano-1-(phenylsulfonyl)-2,3-dihydroindene-1-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-3-cyano-indane-1-carboxylic acid CAS Name: 1-(benzenesulfonyl)-3-cyano-2,3-dihydroindene-1-carboxylic acid IUPAC Name: 1-(benzenesulfonyl)-3-cyano-2,3-dihydroindene-1-carboxylic acid Traditional Name: 1-besyl-3-cyano-indane-1-carboxylic acid Formula: C17H13NO4S MolecularWeight: 327.35442

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2C1(C(=O)O)S(=O)(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

C1C(C2=CC=CC=C2C1(C(=O)O)S(=O)(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C17H13NO4S/c18-11-12-10-17(16(19)20,15-9-5-4-8-14(12)15)23(21,22)13-6-2-1-3-7-13/h1-9,12H,10H2,(H,19,20)