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71412-37-8 | 2-Naphthalenesulfonicacid,6-amino-4-hydroxy-5-[2-[4-[[[(4-methylcyclohexyl)oxy]carbonyl]amino]-2-sulfophenyl]diazenyl]-,sodium salt (1:2)
CAS No: 71412-37-8 Catalog No: AG005IRG MDL No:
Product Description
Catalog Number:
AG005IRG
Chemical Name:
2-Naphthalenesulfonicacid,6-amino-4-hydroxy-5-[2-[4-[[[(4-methylcyclohexyl)oxy]carbonyl]amino]-2-sulfophenyl]diazenyl]-,sodium salt (1:2)
CAS Number:
71412-37-8
Molecular Formula:
C24H24N4Na2O9S2
Molecular Weight:
622.5783
IUPAC Name:
disodium;6-amino-4-hydroxy-5-[[4-[(4-methylcyclohexyl)oxycarbonylamino]-2-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate
InChI:
InChI=1S/C24H26N4O9S2.2Na/c1-13-2-6-16(7-3-13)37-24(30)26-15-5-9-19(21(11-15)39(34,35)36)27-28-23-18(25)8-4-14-10-17(38(31,32)33)12-20(29)22(14)23;;/h4-5,8-13,16,29H,2-3,6-7,25H2,1H3,(H,26,30)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2
InChI Key:
HMHYZFWNDSJOSC-UHFFFAOYSA-L
SMILES:
CC1CCC(CC1)OC(=O)Nc1ccc(c(c1)S(=O)(=O)[O-])N=Nc1c(N)ccc2c1c(O)cc(c2)S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
275-434-9
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
622.078g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
622.575g/mol
Monoisotopic Mass:
622.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
241A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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