methyl 2-chloranyl-4-pentylsulfanyl-benzoate

Systemtic Name: methyl 2-chloranyl-4-pentylsulfanyl-benzoate Openeye Name: methyl 2-chloro-4-pentylsulfanyl-benzoate CAS Name: 2-chloro-4-(pentylthio)benzoic acid methyl ester IUPAC Name: methyl 2-chloro-4-pentylsulfanylbenzoate Traditional Name: 4-(amylthio)-2-chloro-benzoic acid methyl ester Formula: C13H17ClO2S MolecularWeight: 272.79088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC(=C(C=C1)C(=O)OC)Cl

Isomeric SMILES

CCCCCSC1=CC(=C(C=C1)C(=O)OC)Cl

InChI

InChI=1S/C13H17ClO2S/c1-3-4-5-8-17-10-6-7-11(12(14)9-10)13(15)16-2/h6-7,9H,3-5,8H2,1-2H3