2-[2,3-bis(oxidanyl)propoxycarbonyl]-5-(hexadecylamino)benzoate

Systemtic Name: 2-[2,3-bis(oxidanyl)propoxycarbonyl]-5-(hexadecylamino)benzoate Openeye Name: 2-(2,3-dihydroxypropoxycarbonyl)-5-(hexadecylamino)benzoate CAS Name: 2-[2,3-dihydroxypropoxy(oxo)methyl]-5-(hexadecylamino)benzoate IUPAC Name: 2-(2,3-dihydroxypropoxycarbonyl)-5-(hexadecylamino)benzoate Traditional Name: 5-(cetylamino)-2-glyceryloxycarbonyl-benzoate Formula: C27H44NO6- MolecularWeight: 478.64136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)C(=O)OCC(CO)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)C(=O)OCC(CO)O)C(=O)[O-]

InChI

InChI=1S/C27H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-28-22-16-17-24(25(19-22)26(31)32)27(33)34-21-23(30)20-29/h16-17,19,23,28-30H,2-15,18,20-21H2,1H3,(H,31,32)/p-1