methyl 4-(butylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-(butylsulfanylmethyl)benzoate Openeye Name: methyl 4-(butylsulfanylmethyl)benzoate CAS Name: 4-[(butylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(butylsulfanylmethyl)benzoate Traditional Name: 4-[(butylthio)methyl]benzoic acid methyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCSCC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C13H18O2S/c1-3-4-9-16-10-11-5-7-12(8-6-11)13(14)15-2/h5-8H,3-4,9-10H2,1-2H3