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

Systemtic Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]sulfonyl-7-phenyl-heptanoic acid Openeye Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]sulfonyl-7-phenyl-heptanoic acid CAS Name: 2-[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]sulfonyl-7-phenylheptanoic acid IUPAC Name: 2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]sulfonyl-7-phenylheptanoic acid Traditional Name: 2-[(E)-3-(4-chlorophenyl)acryloyl]sulfonyl-7-phenyl-enanthic acid Formula: C22H23ClO5S MolecularWeight: 434.93302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClO5S/c23-19-14-11-18(12-15-19)13-16-21(24)29(27,28)20(22(25)26)10-6-2-5-9-17-7-3-1-4-8-17/h1,3-4,7-8,11-16,20H,2,5-6,9-10H2,(H,25,26)/b16-13+