Benzenesulfonic acid, 2-[[4-[2-[2-amino-4-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-5-nitrophenyl]diazenyl]phenyl]amino]-5-nitro-, sodium salt (1:2)
CAS Registry Number®
85959-27-9
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CAS Name
Benzenesulfonic acid, 2-[[4-[2-[2-amino-4-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-5-nitrophenyl]diazenyl]phenyl]amino]-5-nitro-, sodium salt (1:2)Molecular Formula
C28H22N10O11S2.2NaCite this Page
Benzenesulfonic acid, 2-[[4-[2-[2-amino-4-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-5-nitrophenyl]diazenyl]phenyl]amino]-5-nitro-, sodium salt (1:2). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=85959-27-9 (retrieved ) (CAS RN: 85959-27-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C28H22N10O11S2.2Na/c1-15-27(28(39)36(35-15)18-6-9-20(10-7-18)50(44,45)46)34-33-24-13-21(29)23(14-25(24)38(42)43)32-31-17-4-2-16(3-5-17)30-22-11-8-19(37(40)41)12-26(22)51(47,48)49;;/h2-14,27,30H,29H2,1H3,(H,44,45,46)(H,47,48,49);;
InChIKey
InChIKey=XFXHNUWSRZFPQL-UHFFFAOYSA-N
SMILES
O=C1N(N=C(C)C1N=NC2=C(N(=O)=O)C=C(N=NC3=CC=C(NC4=C(S(=O)(=O)O)C=C(N(=O)=O)C=C4)C=C3)C(N)=C2)C5=CC=C(S(=O)(=O)O)C=C5.[Na]
Canonical SMILES
[Na].O=C1N(N=C(C)C1N=NC=2C=C(N)C(N=NC3=CC=C(C=C3)NC4=CC=C(C=C4S(=O)(=O)O)N(=O)=O)=CC2N(=O)=O)C5=CC=C(C=C5)S(=O)(=O)O
Other Names for this Substance
- Benzenesulfonic acid, 2-[[4-[2-[2-amino-4-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-5-nitrophenyl]diazenyl]phenyl]amino]-5-nitro-, sodium salt (1:2)
- Benzenesulfonic acid, 2-[[4-[[2-amino-4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-5-nitrophenyl]azo]phenyl]amino]-5-nitro-, disodium salt
