O1-hexadecyl O5-(4-nitrophenyl) 2-[2,3-bis(oxidanyl)propoxy]pentanedioate

Systemtic Name: O1-hexadecyl O5-(4-nitrophenyl) 2-[2,3-bis(oxidanyl)propoxy]pentanedioate Openeye Name: O1-hexadecyl O5-(4-nitrophenyl) 2-(2,3-dihydroxypropoxy)pentanedioate CAS Name: 2-(2,3-dihydroxypropoxy)pentanedioic acid O1-hexadecyl ester O5-(4-nitrophenyl) ester IUPAC Name: 1-O-hexadecyl 5-O-(4-nitrophenyl) 2-(2,3-dihydroxypropoxy)pentanedioate Traditional Name: 2-glyceryloxyglutaric acid O1-cetyl ester O5-(4-nitrophenyl) ester Formula: C30H49NO9 MolecularWeight: 567.71136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])OCC(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])OCC(CO)O

InChI

InChI=1S/C30H49NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-38-30(35)28(39-24-26(33)23-32)20-21-29(34)40-27-18-16-25(17-19-27)31(36)37/h16-19,26,28,32-33H,2-15,20-24H2,1H3