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17716-41-5 | 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3)
CAS No: 17716-41-5 Catalog No: AG002549 MDL No:
Product Description
Catalog Number:
AG002549
Chemical Name:
2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3)
CAS Number:
17716-41-5
Molecular Formula:
C16H11N3Na3O10S3+
Molecular Weight:
570.4369
IUPAC Name:
trisodium;4-amino-5-oxido-7-sulfo-6-[(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
InChI:
InChI=1S/C16H13N3O10S3.3Na/c17-12-7-11(31(24,25)26)5-8-6-13(32(27,28)29)15(16(20)14(8)12)19-18-9-1-3-10(4-2-9)30(21,22)23;;;/h1-7,20H,17H2,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3
InChI Key:
LQRFRNFLSZCOHZ-UHFFFAOYSA-K
SMILES:
Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
EC Number:
241-718-6
Properties
Complexity:
994
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
568.922g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
569.416g/mol
Monoisotopic Mass:
568.922g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
268A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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