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Reference substances

Reference substances

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General information

Inventory

EC number:
277-097-3
EC name:
Chromate(1-), [2,4-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][3-[4-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-nitrophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonamidato(2-)]-, hydrogen
CAS number:
72928-87-1

No inventory information available

Reference substance information

IUPAC name:
Chromate(1-), [2,4-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)][3-[4-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-nitrophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonamidato(2-)]-, hydrogen

CAS information

CAS number:
72928-87-1

Molecular and structural information

Molecular formula:
C38H35CrN11O10S.H
Molecular weight:
890.831
SMILES notation:
[Cr+3].c1(N2C([C@@-](C(=N2)C)\N=N\c2cc(cc([N+]([O-])=O)c2[O-])CC(C)(C)C)=O)cc(S(N)(=O)=O)ccc1.c1(ccccc1)N1N=C([C@@-](C1=O)\N=N\c1c(c(cc(c1)C)[N+]([O-])=O)[O-])C
InChl:
1S/C21H23N6O6S.C17H14N5O4.Cr/c1-12-18(20(29)26(25-12)14-6-5-7-15(10-14)34(22,32)33)24-23-16-8-13(11-21(2,3)4)9-17(19(16)28)27(30)31;1-10-8-13(16(23)14(9-10)22(25)26)18-19-15-11(2)20-21(17(15)24)12-6-4-3-5-7-12;/h5-10,28H,11H2,1-4H3,(H2,22,32,33);3-9,23H,1-2H3;/q2*-1;+3/p-1/b24-23+;19-18+;
Structural formula:
Chemical structure