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

Systemtic Name: 1-methoxy-4-methyl-benzene; methyl 2-(2,4-dichlorophenyl)-4-methyl-3-oxidanylidene-4-sulfanyl-pentanoate Openeye Name: 1-methoxy-4-methyl-benzene; methyl 2-(2,4-dichlorophenyl)-4-methyl-3-oxo-4-sulfanyl-pentanoate CAS Name: 2-(2,4-dichlorophenyl)-4-mercapto-4-methyl-3-oxopentanoic acid methyl ester; 1-methoxy-4-methylbenzene IUPAC Name: 1-methoxy-4-methylbenzene; methyl 2-(2,4-dichlorophenyl)-4-methyl-3-oxo-4-sulfanylpentanoate Traditional Name: 2-(2,4-dichlorophenyl)-3-keto-4-mercapto-4-methyl-valeric acid methyl ester; 1-methoxy-4-methyl-benzene Formula: C21H24Cl2O4S MolecularWeight: 443.38386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14Cl2O3S.C8H10O/c1-13(2,19)11(16)10(12(17)18-3)8-5-4-7(14)6-9(8)15;1-7-3-5-8(9-2)6-4-7/h4-6,10,19H,1-3H3;3-6H,1-2H3