methyl 5-methyl-5-(3-methyl-4-oxidanyl-2-sulfanyl-phenyl)hexanoate

Systemtic Name: methyl 5-methyl-5-(3-methyl-4-oxidanyl-2-sulfanyl-phenyl)hexanoate Openeye Name: methyl 5-(4-hydroxy-3-methyl-2-sulfanyl-phenyl)-5-methyl-hexanoate CAS Name: 5-(4-hydroxy-2-mercapto-3-methylphenyl)-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-(4-hydroxy-3-methyl-2-sulfanylphenyl)-5-methylhexanoate Traditional Name: 5-(4-hydroxy-2-mercapto-3-methyl-phenyl)-5-methyl-hexanoic acid methyl ester Formula: C15H22O3S MolecularWeight: 282.39838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1S)C(C)(C)CCCC(=O)OC)O

Isomeric SMILES

CC1=C(C=CC(=C1S)C(C)(C)CCCC(=O)OC)O

InChI

InChI=1S/C15H22O3S/c1-10-12(16)8-7-11(14(10)19)15(2,3)9-5-6-13(17)18-4/h7-8,16,19H,5-6,9H2,1-4H3