3-(3,4-dimethoxyphenyl)sulfonyl-5-methyl-hexanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)sulfonyl-5-methyl-hexanoic acid Openeye Name: 3-(3,4-dimethoxyphenyl)sulfonyl-5-methyl-hexanoic acid CAS Name: 3-(3,4-dimethoxyphenyl)sulfonyl-5-methylhexanoic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)sulfonyl-5-methylhexanoic acid Traditional Name: 3-(3,4-dimethoxyphenyl)sulfonyl-5-methyl-hexanoic acid Formula: C15H22O6S MolecularWeight: 330.39658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O6S/c1-10(2)7-12(9-15(16)17)22(18,19)11-5-6-13(20-3)14(8-11)21-4/h5-6,8,10,12H,7,9H2,1-4H3,(H,16,17)