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butyl 2-methyl-5-sulfanyl-benzoate

butyl 2-methyl-5-sulfanyl-benzoate

Systemtic Name:butyl 2-methyl-5-sulfanyl-benzoate
Openeye Name:butyl 2-methyl-5-sulfanyl-benzoate
CAS Name:5-mercapto-2-methylbenzoic acid butyl ester
IUPAC Name:butyl 2-methyl-5-sulfanylbenzoate
Traditional Name:5-mercapto-2-methyl-benzoic acid butyl ester
Formula: C12H16O2S
MolecularWeight: 224.31924
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)S)C


Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1)S)C


InChI

InChI=1S/C12H16O2S/c1-3-4-7-14-12(13)11-8-10(15)6-5-9(11)2/h5-6,8,15H,3-4,7H2,1-2H3


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