2-[(E)-4-(4-chlorophenyl)-3-(3-cyanophenyl)but-2-en-2-yl]-4-methyl-benzenesulfonic acid

Systemtic Name: 2-[(E)-4-(4-chlorophenyl)-3-(3-cyanophenyl)but-2-en-2-yl]-4-methyl-benzenesulfonic acid Openeye Name: 2-[(E)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methyl-prop-1-enyl]-4-methyl-benzenesulfonic acid CAS Name: 2-[(E)-4-(4-chlorophenyl)-3-(3-cyanophenyl)but-2-en-2-yl]-4-methylbenzenesulfonic acid IUPAC Name: 2-[(E)-4-(4-chlorophenyl)-3-(3-cyanophenyl)but-2-en-2-yl]-4-methylbenzenesulfonic acid Traditional Name: 2-[(E)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methyl-prop-1-enyl]-4-methyl-besylic acid Formula: C24H20ClNO3S MolecularWeight: 437.9385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)C(=C(CC2=CC=C(C=C2)Cl)C3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)/C(=C(\CC2=CC=C(C=C2)Cl)/C3=CC=CC(=C3)C#N)/C

InChI

InChI=1S/C24H20ClNO3S/c1-16-6-11-24(30(27,28)29)23(12-16)17(2)22(14-18-7-9-21(25)10-8-18)20-5-3-4-19(13-20)15-26/h3-13H,14H2,1-2H3,(H,27,28,29)/b22-17+