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

Systemtic Name: 2-(4-methylphenyl)sulfonyl-5-phenyl-pent-4-ynoic acid Openeye Name: 5-phenyl-2-(p-tolylsulfonyl)pent-4-ynoic acid CAS Name: 2-(4-methylphenyl)sulfonyl-5-phenyl-4-pentynoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-5-phenylpent-4-ynoic acid Traditional Name: 5-phenyl-2-tosyl-pent-4-ynoic acid Formula: C18H16O4S MolecularWeight: 328.38224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O4S/c1-14-10-12-16(13-11-14)23(21,22)17(18(19)20)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13,17H,9H2,1H3,(H,19,20)