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

Systemtic Name: 5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-pent-4-ynoic acid Openeye Name: 5-(2-methoxyphenyl)-2-(p-tolylsulfonyl)pent-4-ynoic acid CAS Name: 5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-4-pentynoic acid IUPAC Name: 5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonylpent-4-ynoic acid Traditional Name: 5-(2-methoxyphenyl)-2-tosyl-pent-4-ynoic acid Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC#CC2=CC=CC=C2OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC#CC2=CC=CC=C2OC)C(=O)O

InChI

InChI=1S/C19H18O5S/c1-14-10-12-16(13-11-14)25(22,23)18(19(20)21)9-5-7-15-6-3-4-8-17(15)24-2/h3-4,6,8,10-13,18H,9H2,1-2H3,(H,20,21)