(2-acetamido-3-octadecoxy-propyl)sulfanyl benzoate

Systemtic Name: (2-acetamido-3-octadecoxy-propyl)sulfanyl benzoate Openeye Name: (2-acetamido-3-octadecoxy-propyl)sulfanyl benzoate CAS Name: benzoic acid [(2-acetamido-3-octadecoxypropyl)thio] ester IUPAC Name: (2-acetamido-3-octadecoxypropyl)sulfanyl benzoate Traditional Name: benzoic acid [(2-acetamido-3-stearyloxy-propyl)thio] ester Formula: C30H51NO4S MolecularWeight: 521.79524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CSOC(=O)C1=CC=CC=C1)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CSOC(=O)C1=CC=CC=C1)NC(=O)C

InChI

InChI=1S/C30H51NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-34-25-29(31-27(2)32)26-36-35-30(33)28-22-19-18-20-23-28/h18-20,22-23,29H,3-17,21,24-26H2,1-2H3,(H,31,32)