[6-[4-[(2,4-dinitrophenyl)amino]phenoxy]-3,4,5-tri(hexadecanoyloxy)oxan-2-yl]methyl hexadecanoate

Systemtic Name: [6-[4-[(2,4-dinitrophenyl)amino]phenoxy]-3,4,5-tri(hexadecanoyloxy)oxan-2-yl]methyl hexadecanoate Openeye Name: [6-[4-(2,4-dinitroanilino)phenoxy]-3,4,5-tri(hexadecanoyloxy)tetrahydropyran-2-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [6-[4-(2,4-dinitroanilino)phenoxy]-3,4,5-tris(1-oxohexadecoxy)-2-oxanyl]methyl ester IUPAC Name: [6-[4-(2,4-dinitroanilino)phenoxy]-3,4,5-tri(hexadecanoyloxy)oxan-2-yl]methyl hexadecanoate Traditional Name: palmitic acid [6-[4-(2,4-dinitroanilino)phenoxy]-3,4,5-tri(hexadecanoyloxy)tetrahydropyran-2-yl]methyl ester Formula: C82H139N3O14 MolecularWeight: 1390.99276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C82H139N3O14/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-75(86)94-68-74-79(97-76(87)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)80(98-77(88)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)81(99-78(89)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)82(96-74)95-71-64-61-69(62-65-71)83-72-66-63-70(84(90)91)67-73(72)85(92)93/h61-67,74,79-83H,5-60,68H2,1-4H3