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

Systemtic Name: 5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-pent-4-ynoic acid Openeye Name: 5-(p-tolyl)-2-(p-tolylsulfonyl)pent-4-ynoic acid CAS Name: 5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-4-pentynoic acid IUPAC Name: 5-(4-methylphenyl)-2-(4-methylphenyl)sulfonylpent-4-ynoic acid Traditional Name: 5-(p-tolyl)-2-tosyl-pent-4-ynoic acid Formula: C19H18O4S MolecularWeight: 342.40882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)C#CCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H18O4S/c1-14-6-10-16(11-7-14)4-3-5-18(19(20)21)24(22,23)17-12-8-15(2)9-13-17/h6-13,18H,5H2,1-2H3,(H,20,21)