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83929-49-1 | 2,7-Naphthalenedisulfonicacid, 4-[(4-aminobenzoyl)amino]-5-hydroxy-, sodium salt (1:1)
CAS No: 83929-49-1 Catalog No: AG004V70 MDL No:
Product Description
Catalog Number:
AG004V70
Chemical Name:
2,7-Naphthalenedisulfonicacid, 4-[(4-aminobenzoyl)amino]-5-hydroxy-, sodium salt (1:1)
CAS Number:
83929-49-1
Molecular Formula:
C17H13N2NaO8S2
Molecular Weight:
460.4135
IUPAC Name:
sodium;5-[(4-aminobenzoyl)amino]-4-hydroxy-7-sulfonaphthalene-2-sulfonate
InChI:
InChI=1S/C17H14N2O8S2.Na/c18-11-3-1-9(2-4-11)17(21)19-14-7-12(28(22,23)24)5-10-6-13(29(25,26)27)8-15(20)16(10)14;/h1-8,20H,18H2,(H,19,21)(H,22,23,24)(H,25,26,27);/q;+1/p-1
InChI Key:
KTSRVZTVGARMSR-UHFFFAOYSA-M
SMILES:
Nc1ccc(cc1)C(=O)Nc1cc(cc2c1c(O)cc(c2)S(=O)(=O)[O-])S(=O)(=O)O.[Na+]
EC Number:
281-340-9
Properties
Complexity:
818
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.001g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
460.407g/mol
Monoisotopic Mass:
460.001g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
204A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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