1-methoxy-4-methyl-benzene; methyl 5-methyl-4-oxidanylidene-5-sulfanyl-3-(2,4,6-trimethylphenyl)heptanoate

Systemtic Name: 1-methoxy-4-methyl-benzene; methyl 5-methyl-4-oxidanylidene-5-sulfanyl-3-(2,4,6-trimethylphenyl)heptanoate Openeye Name: 1-methoxy-4-methyl-benzene; methyl 5-methyl-4-oxo-5-sulfanyl-3-(2,4,6-trimethylphenyl)heptanoate CAS Name: 5-mercapto-5-methyl-4-oxo-3-(2,4,6-trimethylphenyl)heptanoic acid methyl ester; 1-methoxy-4-methylbenzene IUPAC Name: 1-methoxy-4-methylbenzene; methyl 5-methyl-4-oxo-5-sulfanyl-3-(2,4,6-trimethylphenyl)heptanoate Traditional Name: 4-keto-5-mercapto-3-mesityl-5-methyl-enanthic acid methyl ester; 1-methoxy-4-methyl-benzene Formula: C26H36O4S MolecularWeight: 444.62664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)C(CC(=O)OC)C1=C(C=C(C=C1C)C)C)S.CC1=CC=C(C=C1)OC

Isomeric SMILES

CCC(C)(C(=O)C(CC(=O)OC)C1=C(C=C(C=C1C)C)C)S.CC1=CC=C(C=C1)OC

InChI

InChI=1S/C18H26O3S.C8H10O/c1-7-18(5,22)17(20)14(10-15(19)21-6)16-12(3)8-11(2)9-13(16)4;1-7-3-5-8(9-2)6-4-7/h8-9,14,22H,7,10H2,1-6H3;3-6H,1-2H3