(2-chloranyl-4-pentylsulfanyl-phenyl)methyl methanesulfonate

Systemtic Name: (2-chloranyl-4-pentylsulfanyl-phenyl)methyl methanesulfonate Openeye Name: (2-chloro-4-pentylsulfanyl-phenyl)methyl methanesulfonate CAS Name: methanesulfonic acid [2-chloro-4-(pentylthio)phenyl]methyl ester IUPAC Name: (2-chloro-4-pentylsulfanylphenyl)methyl methanesulfonate Traditional Name: methanesulfonic acid [4-(amylthio)-2-chloro-benzyl] ester Formula: C13H19ClO3S2 MolecularWeight: 322.87116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClO3S2/c1-3-4-5-8-18-12-7-6-11(13(14)9-12)10-17-19(2,15)16/h6-7,9H,3-5,8,10H2,1-2H3