2-(4-methoxyphenyl)sulfonyl-5-methyl-hexanoic acid

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-hexanoic acid Openeye Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-hexanoic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-5-methylhexanoic acid IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-5-methylhexanoic acid Traditional Name: 2-(4-methoxyphenyl)sulfonyl-5-methyl-hexanoic acid Formula: C14H20O5S MolecularWeight: 300.3706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O5S/c1-10(2)4-9-13(14(15)16)20(17,18)12-7-5-11(19-3)6-8-12/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)