dodecyl 5-oxidanylidene-4-[2,3,4,5,6-pentakis(oxidanyl)hexanoylamino]heptadecanoate

Systemtic Name: dodecyl 5-oxidanylidene-4-[2,3,4,5,6-pentakis(oxidanyl)hexanoylamino]heptadecanoate Openeye Name: dodecyl 5-oxo-4-(2,3,4,5,6-pentahydroxyhexanoylamino)heptadecanoate CAS Name: 5-oxo-4-[(2,3,4,5,6-pentahydroxy-1-oxohexyl)amino]heptadecanoic acid dodecyl ester IUPAC Name: dodecyl 5-oxo-4-(2,3,4,5,6-pentahydroxyhexanoylamino)heptadecanoate Traditional Name: 5-keto-4-(2,3,4,5,6-pentahydroxyhexanoylamino)heptadecanoic acid lauryl ester Formula: C35H67NO9 MolecularWeight: 645.90778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)C(CCC(=O)OCCCCCCCCCCCC)NC(=O)C(C(C(C(CO)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCC(=O)C(CCC(=O)OCCCCCCCCCCCC)NC(=O)C(C(C(C(CO)O)O)O)O

InChI

InChI=1S/C35H67NO9/c1-3-5-7-9-11-13-15-17-19-21-23-29(38)28(36-35(44)34(43)33(42)32(41)30(39)27-37)24-25-31(40)45-26-22-20-18-16-14-12-10-8-6-4-2/h28,30,32-34,37,39,41-43H,3-27H2,1-2H3,(H,36,44)