[2-(octadecanoylamino)-1-oxidanyl-octadecan-3-yl] benzoate

Systemtic Name: [2-(octadecanoylamino)-1-oxidanyl-octadecan-3-yl] benzoate Openeye Name: 1-[2-hydroxy-1-(octadecanoylamino)ethyl]hexadecyl benzoate CAS Name: benzoic acid [1-hydroxy-2-(1-oxooctadecylamino)octadecan-3-yl] ester IUPAC Name: [1-hydroxy-2-(octadecanoylamino)octadecan-3-yl] benzoate Traditional Name: benzoic acid 1-(2-hydroxy-1-stearamido-ethyl)hexadecyl ester Formula: C43H77NO4 MolecularWeight: 672.07578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(CCCCCCCCCCCCCCC)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(CCCCCCCCCCCCCCC)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C43H77NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33-37-42(46)44-40(38-45)41(48-43(47)39-34-30-29-31-35-39)36-32-27-25-23-21-19-16-14-12-10-8-6-4-2/h29-31,34-35,40-41,45H,3-28,32-33,36-38H2,1-2H3,(H,44,46)