1-[(2,4-dinitrophenyl)amino]-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-oic acid

CAS: 1334178-00-5

Formula: C33H57N3O18

SMILES: OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O

IUPAC: 1-[(2,4-dinitrophenyl)amino]-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-oic acid

InChI: InChI=1S/C33H57N3O18/c37-33(38)3-5-43-7-9-45-11-13-47-15-17-49-19-21-51-23-25-53-27-28-54-26-24-52-22-20-50-18-16-48-14-12-46-10-8-44-6-4-34-31-2-1-30(35(39)40)29-32(31)36(41)42/h1-2,29,34H,3-28H2,(H,37,38)

Composition: C (50.57%), H (7.33%), N (5.36%), O (36.74%)

Molar Mass: 783.822

Atom Count: 111

Heavy Atom Count: 54