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Home > Nitro Compounds > 85650-79-9
85650-79-9 | disodium 2,2'-[(2-methyl-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[imino(methyl-p-phenylene)imino]]bis[5-nitrobenzenesulphonate]
CAS No: 85650-79-9 Catalog No: AG00GQ48 MDL No:
Product Description
Catalog Number:
AG00GQ48
Chemical Name:
disodium 2,2'-[(2-methyl-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[imino(methyl-p-phenylene)imino]]bis[5-nitrobenzenesulphonate]
CAS Number:
85650-79-9
IUPAC Name:
disodium;2-[2-methyl-4-[[5-methyl-4-[3-methyl-4-(4-nitro-2-sulfonatoanilino)anilino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]anilino]-5-nitrobenzenesulfonate
InChI:
InChI=1S/C33H28N6O12S2.2Na/c1-17-12-20(4-8-24(17)36-26-10-6-22(38(42)43)14-30(26)52(46,47)48)34-28-16-29(40)32(19(3)33(28)41)35-21-5-9-25(18(2)13-21)37-27-11-7-23(39(44)45)15-31(27)53(49,50)51;;/h4-16,34-37H,1-3H3,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2
InChI Key:
AWJHVMYRVWFPNX-UHFFFAOYSA-L
EC Number:
288-088-9
Properties
Complexity:
1690
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
808.085g/mol
Formal Charge:
0
Heavy Atom Count:
55
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
808.701g/mol
Monoisotopic Mass:
808.085g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
305A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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