Pigment Blue 56

CAS Registry Number®

6417-46-5

CAS Name

Pigment Blue 56

Molecular Formula

C40H35N3O3S

Molecular Mass

637.79

Cite this Page

Pigment Blue 56.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6417-46-5 (retrieved 2024-11-22) (CAS RN: 6417-46-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H35N3O3S/c1-27-6-4-8-36(24-27)41-33-16-10-30(11-17-33)40(31-12-18-34(19-13-31)42-37-9-5-7-28(2)25-37)32-14-20-35(21-15-32)43-38-22-23-39(29(3)26-38)47(44,45)46/h4-26,41,43H,1-3H3,(H,44,45,46)

InChIKey

InChIKey=IIXWWFPZFCVALL-UHFFFAOYSA-N

SMILES

C(C1=CC=C(NC2=CC(C)=C(S(=O)(=O)O)C=C2)C=C1)(C3=CC=C(NC4=CC(C)=CC=C4)C=C3)=C5C=CC(=NC6=CC(C)=CC=C6)C=C5

Canonical SMILES

O=S(=O)(O)C1=CC=C(C=C1C)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC=CC(=C4)C)C=C3)C5=CC=C(C=C5)NC6=CC=CC(=C6)C

Other Names for this Substance

  • Benzenesulfonic acid, 2-methyl-4-[[4-[[4-[(3-methylphenyl)amino]phenyl][4-[(3-methylphenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]-
  • C.I. Pigment Blue 56
  • 2-Methyl-4-[[4-[[4-[(3-methylphenyl)amino]phenyl][4-[(3-methylphenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]benzenesulfonic acid
  • C.I. 42800
  • Reflex Blue 2G

View All

CAS INSIGHTSTM
Hourglass and a clock