[2,3,4-tris(oxidanyl)-6-oxidanylidene-5-(phenylmethoxycarbonylamino)heptyl] hexadecanoate

Systemtic Name: [2,3,4-tris(oxidanyl)-6-oxidanylidene-5-(phenylmethoxycarbonylamino)heptyl] hexadecanoate Openeye Name: [5-(benzyloxycarbonylamino)-2,3,4-trihydroxy-6-oxo-heptyl] hexadecanoate CAS Name: hexadecanoic acid [2,3,4-trihydroxy-6-oxo-5-(phenylmethoxycarbonylamino)heptyl] ester IUPAC Name: [2,3,4-trihydroxy-6-oxo-5-(phenylmethoxycarbonylamino)heptyl] hexadecanoate Traditional Name: palmitic acid [5-(benzyloxycarbonylamino)-2,3,4-trihydroxy-6-keto-heptyl] ester Formula: C31H51NO8 MolecularWeight: 565.73854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C(C(C(C(=O)C)NC(=O)OCC1=CC=CC=C1)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C(C(C(C(=O)C)NC(=O)OCC1=CC=CC=C1)O)O)O

InChI

InChI=1S/C31H51NO8/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27(35)39-23-26(34)29(36)30(37)28(24(2)33)32-31(38)40-22-25-19-16-15-17-20-25/h15-17,19-20,26,28-30,34,36-37H,3-14,18,21-23H2,1-2H3,(H,32,38)