3-(4-methoxyphenyl)sulfonyl-2-methylidene-pentanoic acid

Systemtic Name: 3-(4-methoxyphenyl)sulfonyl-2-methylidene-pentanoic acid Openeye Name: 3-(4-methoxyphenyl)sulfonyl-2-methylene-pentanoic acid CAS Name: 3-(4-methoxyphenyl)sulfonyl-2-methylenepentanoic acid IUPAC Name: 3-(4-methoxyphenyl)sulfonyl-2-methylidenepentanoic acid Traditional Name: 2-[1-(4-methoxyphenyl)sulfonylpropyl]acrylic acid Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=C)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

CCC(C(=C)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C13H16O5S/c1-4-12(9(2)13(14)15)19(16,17)11-7-5-10(18-3)6-8-11/h5-8,12H,2,4H2,1,3H3,(H,14,15)