5-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)prop-2-enyl]sulfonyl-pent-4-ynoic acid

Systemtic Name: 5-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)prop-2-enyl]sulfonyl-pent-4-ynoic acid Openeye Name: 5-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)allyl]sulfonyl-pent-4-ynoic acid CAS Name: 5-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)prop-2-enyl]sulfonyl-4-pentynoic acid IUPAC Name: 5-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)prop-2-enyl]sulfonylpent-4-ynoic acid Traditional Name: 5-(4-chlorophenyl)-2-[(E)-3-(4-chlorophenyl)allyl]sulfonyl-pent-4-ynoic acid Formula: C20H16Cl2O4S MolecularWeight: 423.30964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CCS(=O)(=O)C(CC#CC2=CC=C(C=C2)Cl)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1/C=C/CS(=O)(=O)C(CC#CC2=CC=C(C=C2)Cl)C(=O)O)Cl

InChI

InChI=1S/C20H16Cl2O4S/c21-17-10-6-15(7-11-17)3-1-5-19(20(23)24)27(25,26)14-2-4-16-8-12-18(22)13-9-16/h2,4,6-13,19H,5,14H2,(H,23,24)/b4-2+