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

Systemtic Name: 5-(4-chlorophenyl)-2-(4-cyanophenyl)sulfonyl-pent-4-ynoic acid Openeye Name: 5-(4-chlorophenyl)-2-(4-cyanophenyl)sulfonyl-pent-4-ynoic acid CAS Name: 5-(4-chlorophenyl)-2-(4-cyanophenyl)sulfonyl-4-pentynoic acid IUPAC Name: 5-(4-chlorophenyl)-2-(4-cyanophenyl)sulfonylpent-4-ynoic acid Traditional Name: 5-(4-chlorophenyl)-2-(4-cyanophenyl)sulfonyl-pent-4-ynoic acid Formula: C18H12ClNO4S MolecularWeight: 373.81018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C#CCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C#N)Cl

InChI

InChI=1S/C18H12ClNO4S/c19-15-8-4-13(5-9-15)2-1-3-17(18(21)22)25(23,24)16-10-6-14(12-20)7-11-16/h4-11,17H,3H2,(H,21,22)