1-methoxy-4-methyl-benzene; methyl 3-(2,4-dimethylphenyl)-5-methyl-4-oxidanylidene-5-sulfanyl-heptanoate

Systemtic Name: 1-methoxy-4-methyl-benzene; methyl 3-(2,4-dimethylphenyl)-5-methyl-4-oxidanylidene-5-sulfanyl-heptanoate Openeye Name: 1-methoxy-4-methyl-benzene; methyl 3-(2,4-dimethylphenyl)-5-methyl-4-oxo-5-sulfanyl-heptanoate CAS Name: 3-(2,4-dimethylphenyl)-5-mercapto-5-methyl-4-oxoheptanoic acid methyl ester; 1-methoxy-4-methylbenzene IUPAC Name: 1-methoxy-4-methylbenzene; methyl 3-(2,4-dimethylphenyl)-5-methyl-4-oxo-5-sulfanylheptanoate Traditional Name: 3-(2,4-dimethylphenyl)-4-keto-5-mercapto-5-methyl-enanthic acid methyl ester; 1-methoxy-4-methyl-benzene Formula: C25H34O4S MolecularWeight: 430.60006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O3S.C8H10O/c1-6-17(4,21)16(19)14(10-15(18)20-5)13-8-7-11(2)9-12(13)3;1-7-3-5-8(9-2)6-4-7/h7-9,14,21H,6,10H2,1-5H3;3-6H,1-2H3