4-[(E)-2-cyano-2-(phenylsulfonyl)ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyano-2-(phenylsulfonyl)ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(benzenesulfonyl)-2-cyano-vinyl]benzoic acid CAS Name: 4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(benzenesulfonyl)-2-cyanoethenyl]benzoic acid Traditional Name: 4-[(E)-2-besyl-2-cyano-vinyl]benzoic acid Formula: C16H11NO4S MolecularWeight: 313.32784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C#N

InChI

InChI=1S/C16H11NO4S/c17-11-15(22(20,21)14-4-2-1-3-5-14)10-12-6-8-13(9-7-12)16(18)19/h1-10H,(H,18,19)/b15-10+