C.I. Pigment Red 49, calcium salt (2:1)

C.I. Pigment Red 49, calcium salt (2:1)



Chemical identification
CAS identifier1103-39-5
Pubchem identifier14201
DSSTox identifierDTXSID2061486
IUPAC namecalcium 2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
StructureC.I. Pigment Red 49, calcium salt (2:1)

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
SMILESOc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)[O-])cccc3)cccc2.Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)[O-])cccc3)cccc2.[Ca+2]
InChIInChI=1S/2C20H14N2O4S.Ca/c2*23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26;/h2*1-12,23H,(H,24,25,26);/q;;+2/p-2/b2*22-21+;
InChIKeyUETSCOQSVNUXDH-JTVZJQPRSA-L

Chemical classification
KingdomOrganic compounds
SuperclassBenzenoids
ClassNaphthalenes
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