methyl 4-(6-methylheptan-2-ylsulfanyl)benzoate

Systemtic Name: methyl 4-(6-methylheptan-2-ylsulfanyl)benzoate Openeye Name: methyl 4-(1,5-dimethylhexylsulfanyl)benzoate CAS Name: 4-(6-methylheptan-2-ylthio)benzoic acid methyl ester IUPAC Name: methyl 4-(6-methylheptan-2-ylsulfanyl)benzoate Traditional Name: 4-(1,5-dimethylhexylthio)benzoic acid methyl ester Formula: C16H24O2S MolecularWeight: 280.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)SC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(C)CCCC(C)SC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C16H24O2S/c1-12(2)6-5-7-13(3)19-15-10-8-14(9-11-15)16(17)18-4/h8-13H,5-7H2,1-4H3