bis(pentylsulfanyl)methyl benzoate

Systemtic Name: bis(pentylsulfanyl)methyl benzoate Openeye Name: bis(pentylsulfanyl)methyl benzoate CAS Name: benzoic acid bis(pentylthio)methyl ester IUPAC Name: bis(pentylsulfanyl)methyl benzoate Traditional Name: benzoic acid bis(amylthio)methyl ester Formula: C18H28O2S2 MolecularWeight: 340.54372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(OC(=O)C1=CC=CC=C1)SCCCCC

Isomeric SMILES

CCCCCSC(OC(=O)C1=CC=CC=C1)SCCCCC

InChI

InChI=1S/C18H28O2S2/c1-3-5-10-14-21-18(22-15-11-6-4-2)20-17(19)16-12-8-7-9-13-16/h7-9,12-13,18H,3-6,10-11,14-15H2,1-2H3