2-[(E)-3-(4-chlorophenyl)prop-2-enyl]sulfonyl-7-phenyl-heptanoic acid

Systemtic Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enyl]sulfonyl-7-phenyl-heptanoic acid Openeye Name: 2-[(E)-3-(4-chlorophenyl)allyl]sulfonyl-7-phenyl-heptanoic acid CAS Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enyl]sulfonyl-7-phenylheptanoic acid IUPAC Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enyl]sulfonyl-7-phenylheptanoic acid Traditional Name: 2-[(E)-3-(4-chlorophenyl)allyl]sulfonyl-7-phenyl-enanthic acid Formula: C22H25ClO4S MolecularWeight: 420.9495

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCC(C(=O)O)S(=O)(=O)CC=CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCCC(C(=O)O)S(=O)(=O)C/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H25ClO4S/c23-20-15-13-19(14-16-20)11-7-17-28(26,27)21(22(24)25)12-6-2-5-10-18-8-3-1-4-9-18/h1,3-4,7-9,11,13-16,21H,2,5-6,10,12,17H2,(H,24,25)/b11-7+