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117-44-2 | 2,7-Naphthalenedisulfonic acid, 4-[2-(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-[(phenylsulfonyl)oxy]-
CAS No: 117-44-2 Catalog No: AG000DIP MDL No:
Product Description
Catalog Number:
AG000DIP
Chemical Name:
2,7-Naphthalenedisulfonic acid, 4-[2-(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-[(phenylsulfonyl)oxy]-
CAS Number:
117-44-2
Molecular Formula:
C24H21N3O10S3
Molecular Weight:
607.6326
IUPAC Name:
4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-(benzenesulfonyloxy)naphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C24H21N3O10S3/c1-14-8-19(25)22(36-2)13-20(14)26-27-21-11-17(38(28,29)30)9-15-10-18(39(31,32)33)12-23(24(15)21)37-40(34,35)16-6-4-3-5-7-16/h3-13H,25H2,1-2H3,(H,28,29,30)(H,31,32,33)
InChI Key:
QEYCCMMMEKIJFH-UHFFFAOYSA-N
SMILES:
COc1cc(N=Nc2cc(cc3c2c(cc(c3)S(=O)(=O)O)OS(=O)(=O)c2ccccc2)S(=O)(=O)O)c(cc1N)C
EC Number:
204-190-8
Properties
Complexity:
1220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
607.039g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
607.623g/mol
Monoisotopic Mass:
607.039g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
237A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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