C.I. Pigment Orange 16

C.I. Pigment Orange 16



Chemical identification
CAS identifier6505-28-8
Pubchem identifier110869
DSSTox identifierDTXSID60863890
IUPAC name2-[[4-[4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-3-oxo-N-phenylbutanamide
StructureC.I. Pigment Orange 16

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
SMILESCOc1cc(ccc1/N=N/C(C(=O)Nc1ccccc1)C(=O)C)c1ccc(c(c1)OC)/N=N/C(C(=O)Nc1ccccc1)C(=O)C
InChIInChI=1S/C34H32N6O6/c1-21(41)31(33(43)35-25-11-7-5-8-12-25)39-37-27-17-15-23(19-29(27)45-3)24-16-18-28(30(20-24)46-4)38-40-32(22(2)42)34(44)36-26-13-9-6-10-14-26/h5-20,31-32H,1-4H3,(H,35,43)(H,36,44)/b39-37+,40-38+
InChIKeyDMPXHEMGDYKSFL-HVMBLDELSA-N

Chemical classification
KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
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