2-(4-cyanophenyl)sulfonyl-5-phenyl-pent-4-ynoic acid

Systemtic Name: 2-(4-cyanophenyl)sulfonyl-5-phenyl-pent-4-ynoic acid Openeye Name: 2-(4-cyanophenyl)sulfonyl-5-phenyl-pent-4-ynoic acid CAS Name: 2-(4-cyanophenyl)sulfonyl-5-phenyl-4-pentynoic acid IUPAC Name: 2-(4-cyanophenyl)sulfonyl-5-phenylpent-4-ynoic acid Traditional Name: 2-(4-cyanophenyl)sulfonyl-5-phenyl-pent-4-ynoic acid Formula: C18H13NO4S MolecularWeight: 339.36512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO4S/c19-13-15-9-11-16(12-10-15)24(22,23)17(18(20)21)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,8H2,(H,20,21)