5-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-pent-4-ynoic acid

Systemtic Name: 5-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-pent-4-ynoic acid Openeye Name: 5-(4-methoxyphenyl)-2-(p-tolylsulfanyl)pent-4-ynoic acid CAS Name: 5-(4-methoxyphenyl)-2-[(4-methylphenyl)thio]-4-pentynoic acid IUPAC Name: 5-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylpent-4-ynoic acid Traditional Name: 5-(4-methoxyphenyl)-2-(p-tolylthio)pent-4-ynoic acid Formula: C19H18O3S MolecularWeight: 326.40942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CC#CC2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(CC#CC2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C19H18O3S/c1-14-6-12-17(13-7-14)23-18(19(20)21)5-3-4-15-8-10-16(22-2)11-9-15/h6-13,18H,5H2,1-2H3,(H,20,21)