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

Systemtic Name: 5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-pent-4-ynoic acid Openeye Name: 5-(4-chlorophenyl)-2-(p-tolylsulfonyl)pent-4-ynoic acid CAS Name: 5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-4-pentynoic acid IUPAC Name: 5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylpent-4-ynoic acid Traditional Name: 5-(4-chlorophenyl)-2-tosyl-pent-4-ynoic acid Formula: C18H15ClO4S MolecularWeight: 362.8273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClO4S/c1-13-5-11-16(12-6-13)24(22,23)17(18(20)21)4-2-3-14-7-9-15(19)10-8-14/h5-12,17H,4H2,1H3,(H,20,21)