1-[(4-azido-2-nitro-phenyl)amino]-13-(hydroxymethyl)-13,14-bis(oxidanyl)octacosane-12,15-dione

Systemtic Name: 1-[(4-azido-2-nitro-phenyl)amino]-13-(hydroxymethyl)-13,14-bis(oxidanyl)octacosane-12,15-dione Openeye Name: 1-(4-azido-2-nitro-anilino)-13,14-dihydroxy-13-(hydroxymethyl)octacosane-12,15-dione CAS Name: 1-(4-azido-2-nitroanilino)-13,14-dihydroxy-13-(hydroxymethyl)octacosane-12,15-dione IUPAC Name: 1-(4-azido-2-nitroanilino)-13,14-dihydroxy-13-(hydroxymethyl)octacosane-12,15-dione Traditional Name: 1-(4-azido-2-nitro-anilino)-13,14-dihydroxy-13-methylol-octacosane-12,15-dione Formula: C35H59N5O7 MolecularWeight: 661.87226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(C(CO)(C(=O)CCCCCCCCCCCNC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-])O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(C(CO)(C(=O)CCCCCCCCCCCNC1=C(C=C(C=C1)N=[N+]=[N-])[N+](=O)[O-])O)O

InChI

InChI=1S/C35H59N5O7/c1-2-3-4-5-6-7-8-10-13-16-19-22-32(42)34(44)35(45,28-41)33(43)23-20-17-14-11-9-12-15-18-21-26-37-30-25-24-29(38-39-36)27-31(30)40(46)47/h24-25,27,34,37,41,44-45H,2-23,26,28H2,1H3