[3-(heptadecanoylamino)-4-(octadecanoylamino)phenyl]methyl hydrogen sulfate

Systemtic Name: [3-(heptadecanoylamino)-4-(octadecanoylamino)phenyl]methyl hydrogen sulfate Openeye Name: [3-(heptadecanoylamino)-4-(octadecanoylamino)phenyl]methyl hydrogen sulfate CAS Name: sulfuric acid [3-(1-oxoheptadecylamino)-4-(1-oxooctadecylamino)phenyl]methyl ester IUPAC Name: [3-(heptadecanoylamino)-4-(octadecanoylamino)phenyl]methyl hydrogen sulfate Traditional Name: sulfuric acid [3-(heptadecanoylamino)-4-stearamido-benzyl] ester Formula: C42H76N2O6S MolecularWeight: 737.12764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)COS(=O)(=O)O)NC(=O)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)COS(=O)(=O)O)NC(=O)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C42H76N2O6S/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-41(45)43-39-35-34-38(37-50-51(47,48)49)36-40(39)44-42(46)33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h34-36H,3-33,37H2,1-2H3,(H,43,45)(H,44,46)(H,47,48,49)