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12262-06-5 | 1-Naphthalenesulfonic acid, 4-[[diamino(1-naphthalenylazo)phenyl]azo]-, monosodium salt (9CI)
CAS No: 12262-06-5 Catalog No: AG0017KK MDL No:
Product Description
Catalog Number:
AG0017KK
Chemical Name:
1-Naphthalenesulfonic acid, 4-[[diamino(1-naphthalenylazo)phenyl]azo]-, monosodium salt (9CI)
CAS Number:
12262-06-5
Molecular Formula:
C26H19N6NaO3S
Molecular Weight:
518.5222
IUPAC Name:
sodium;4-[[3,4-diamino-2-(naphthalen-1-yldiazenyl)phenyl]diazenyl]naphthalene-1-sulfonate
InChI:
InChI=1S/C26H20N6O3S.Na/c27-20-12-13-23(26(25(20)28)32-30-21-11-5-7-16-6-1-2-8-17(16)21)31-29-22-14-15-24(36(33,34)35)19-10-4-3-9-18(19)22;/h1-15H,27-28H2,(H,33,34,35);/q;+1/p-1
InChI Key:
SVRPYHBHQUPOHP-UHFFFAOYSA-M
SMILES:
Nc1c(N)ccc(c1N=Nc1cccc2c1cccc2)N=Nc1ccc(c2c1cccc2)S(=O)(=O)[O-].[Na+]
EC Number:
235-515-1
Properties
Complexity:
915
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.114g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
518.527g/mol
Monoisotopic Mass:
518.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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