1,4-dimethoxybenzene; 2-methyl-3-sulfanyl-pentanedioic acid

Systemtic Name: 1,4-dimethoxybenzene; 2-methyl-3-sulfanyl-pentanedioic acid Openeye Name: 1,4-dimethoxybenzene; 2-methyl-3-sulfanyl-pentanedioic acid CAS Name: 1,4-dimethoxybenzene; 3-mercapto-2-methylpentanedioic acid IUPAC Name: 1,4-dimethoxybenzene; 2-methyl-3-sulfanylpentanedioic acid Traditional Name: 1,4-dimethoxybenzene; 3-mercapto-2-methyl-glutaric acid Formula: C14H20O6S MolecularWeight: 316.37

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC(=O)O)S)C(=O)O.COC1=CC=C(C=C1)OC

Isomeric SMILES

CC(C(CC(=O)O)S)C(=O)O.COC1=CC=C(C=C1)OC

InChI

InChI=1S/C8H10O2.C6H10O4S/c1-9-7-3-5-8(10-2)6-4-7;1-3(6(9)10)4(11)2-5(7)8/h3-6H,1-2H3;3-4,11H,2H2,1H3,(H,7,8)(H,9,10)