1-methoxy-4-methyl-benzene; methyl 2-(2,4-dimethylphenyl)-4-methyl-3-oxidanylidene-4-sulfanyl-pentanoate

Systemtic Name: 1-methoxy-4-methyl-benzene; methyl 2-(2,4-dimethylphenyl)-4-methyl-3-oxidanylidene-4-sulfanyl-pentanoate Openeye Name: 1-methoxy-4-methyl-benzene; methyl 2-(2,4-dimethylphenyl)-4-methyl-3-oxo-4-sulfanyl-pentanoate CAS Name: 2-(2,4-dimethylphenyl)-4-mercapto-4-methyl-3-oxopentanoic acid methyl ester; 1-methoxy-4-methylbenzene IUPAC Name: 1-methoxy-4-methylbenzene; methyl 2-(2,4-dimethylphenyl)-4-methyl-3-oxo-4-sulfanylpentanoate Traditional Name: 2-(2,4-dimethylphenyl)-3-keto-4-mercapto-4-methyl-valeric acid methyl ester; 1-methoxy-4-methyl-benzene Formula: C23H30O4S MolecularWeight: 402.5469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC.CC1=CC(=C(C=C1)C(C(=O)C(C)(C)S)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)OC.CC1=CC(=C(C=C1)C(C(=O)C(C)(C)S)C(=O)OC)C

InChI

InChI=1S/C15H20O3S.C8H10O/c1-9-6-7-11(10(2)8-9)12(14(17)18-5)13(16)15(3,4)19;1-7-3-5-8(9-2)6-4-7/h6-8,12,19H,1-5H3;3-6H,1-2H3