C.I. Pigment Red 57, calcium salt (1:1)

C.I. Pigment Red 57, calcium salt (1:1)



Chemical identification
CAS identifier5281-04-9
Pubchem identifier135423095
DSSTox identifierDTXSID7027594
IUPAC namecalcium 2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]-5-methylbenzenesulfonate
StructureC.I. Pigment Red 57, calcium salt (1:1)

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
SMILESCc1ccc(c(c1)S(=O)(=O)[O-])/N=N/c1c([O-])c(cc2c1cccc2)C(=O)O.[Ca+2]
InChIInChI=1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2/b20-19+;
InChIKeyPZTQVMXMKVTIRC-RZLHGTIFSA-L

Chemical classification
KingdomOrganic compounds
SuperclassBenzenoids
ClassNaphthalenes
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