52202-90-1
PIGMENT RED 52:1
Name
PIGMENT RED 52:1
Formula
C18 H11 Ca Cl N2 O6 S
MolWeight
458.89
1Identification
【Name】
PIGMENT RED 52:1
【CAS】
【MDL】
MFCD11113566
【English Synonyms】
【Formula】
C18 H11 Ca Cl N2 O6 S
【MolWeight】
458.89
【Inchi】
InChI=1S/C18H13ClN2O6S.Ca/c1-9-5-15(17(8-13(9)19)28(25,26)27)21-20-14-4-2-3-10-6-12(18(23)24)16(22)7-11(10)14;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2/b21-20+;
【InChIKey】
InChIKey=UWVRGGJWKGZKFM-ANVLNOONSA-L
【SMILES】
Cc1cc(c(cc1Cl)S(=O)(=O)[O-])/N=N/c2cccc3c2cc(c(c3)C(=O)O[Ca+])O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PIGMENT RED 52:1.cml
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