methyl 2-(1-octadecoxyethylsulfanyl)benzoate

Systemtic Name: methyl 2-(1-octadecoxyethylsulfanyl)benzoate Openeye Name: methyl 2-(1-octadecoxyethylsulfanyl)benzoate CAS Name: 2-(1-octadecoxyethylthio)benzoic acid methyl ester IUPAC Name: methyl 2-(1-octadecoxyethylsulfanyl)benzoate Traditional Name: 2-(1-stearyloxyethylthio)benzoic acid methyl ester Formula: C28H48O3S MolecularWeight: 464.74392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)SC1=CC=CC=C1C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)SC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C28H48O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-31-25(2)32-27-23-20-19-22-26(27)28(29)30-3/h19-20,22-23,25H,4-18,21,24H2,1-3H3