2-[3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanyl-3-methyl-butanoic acid

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]sulfanyl-3-methyl-butanoic acid Openeye Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]sulfanyl-3-methyl-butanoic acid CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxopropan-2-yl]thio]-3-methylbutanoic acid IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-1-methoxy-1-oxopropan-2-yl]sulfanyl-3-methylbutanoic acid Traditional Name: 2-[(2-keto-2-methoxy-1-veratryl-ethyl)thio]-3-methyl-butyric acid Formula: C17H24O6S MolecularWeight: 356.43386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC(CC1=CC(=C(C=C1)OC)OC)C(=O)OC

Isomeric SMILES

CC(C)C(C(=O)O)SC(CC1=CC(=C(C=C1)OC)OC)C(=O)OC

InChI

InChI=1S/C17H24O6S/c1-10(2)15(16(18)19)24-14(17(20)23-5)9-11-6-7-12(21-3)13(8-11)22-4/h6-8,10,14-15H,9H2,1-5H3,(H,18,19)