methyl 3-(3-methylhexanoyloxysulfanyl)benzoate

Systemtic Name: methyl 3-(3-methylhexanoyloxysulfanyl)benzoate Openeye Name: methyl 3-(3-methylhexanoyloxysulfanyl)benzoate CAS Name: 3-[(3-methyl-1-oxohexoxy)thio]benzoic acid methyl ester IUPAC Name: methyl 3-(3-methylhexanoyloxysulfanyl)benzoate Traditional Name: 3-(3-methylhexanoyloxythio)benzoic acid methyl ester Formula: C15H20O4S MolecularWeight: 296.3819

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC(=O)OSC1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CCCC(C)CC(=O)OSC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C15H20O4S/c1-4-6-11(2)9-14(16)19-20-13-8-5-7-12(10-13)15(17)18-3/h5,7-8,10-11H,4,6,9H2,1-3H3