2-(4-methoxyphenyl)sulfonyl-4-methyl-pentanoic acid

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-4-methyl-pentanoic acid Openeye Name: 2-(4-methoxyphenyl)sulfonyl-4-methyl-pentanoic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-4-methylpentanoic acid IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-4-methylpentanoic acid Traditional Name: 2-(4-methoxyphenyl)sulfonyl-4-methyl-valeric acid Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O5S/c1-9(2)8-12(13(14)15)19(16,17)11-6-4-10(18-3)5-7-11/h4-7,9,12H,8H2,1-3H3,(H,14,15)