[3-azanyl-4,4-bis(oxidanyl)butan-2-yl] octadecanoate

Systemtic Name: [3-azanyl-4,4-bis(oxidanyl)butan-2-yl] octadecanoate Openeye Name: (2-amino-3,3-dihydroxy-1-methyl-propyl) octadecanoate CAS Name: octadecanoic acid (3-amino-4,4-dihydroxybutan-2-yl) ester IUPAC Name: (3-amino-4,4-dihydroxybutan-2-yl) octadecanoate Traditional Name: stearic acid (2-amino-3,3-dihydroxy-1-methyl-propyl) ester Formula: C22H45NO4 MolecularWeight: 387.597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)C(C(O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)C(C(O)O)N

InChI

InChI=1S/C22H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(24)27-19(2)21(23)22(25)26/h19,21-22,25-26H,3-18,23H2,1-2H3