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23554-16-7 | 1,3-Naphthalenedisulfonic acid, 4-amino-6-[2-(6-amino-2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl]-5-hydroxy-
CAS No: 23554-16-7 Catalog No: AG002NND MDL No:
Product Description
Catalog Number:
AG002NND
Chemical Name:
1,3-Naphthalenedisulfonic acid, 4-amino-6-[2-(6-amino-2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl]-5-hydroxy-
CAS Number:
23554-16-7
Molecular Formula:
C20H16N4O11S3
Molecular Weight:
584.5562
IUPAC Name:
4-amino-6-[(6-amino-2-hydroxy-4-sulfonaphthalen-1-yl)diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid
InChI:
InChI=1S/C20H16N4O11S3/c21-8-1-2-9-11(5-8)14(36(27,28)29)6-13(25)19(9)24-23-12-4-3-10-15(37(30,31)32)7-16(38(33,34)35)18(22)17(10)20(12)26/h1-7,25-26H,21-22H2,(H,27,28,29)(H,30,31,32)(H,33,34,35)
InChI Key:
DTCBDSOJBSDRPZ-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)c(cc(c2N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O
EC Number:
245-731-8
Properties
Complexity:
1230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
583.998g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
584.545g/mol
Monoisotopic Mass:
583.998g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
306A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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