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69571-22-8 | Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[(4-methoxyphenyl)azo]- (9CI)
CAS No: 69571-22-8 Catalog No: AG005K4Q MDL No:
Product Description
Catalog Number:
AG005K4Q
Chemical Name:
Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[(4-methoxyphenyl)azo]- (9CI)
CAS Number:
69571-22-8
Molecular Formula:
C28H24N4O8S2
Molecular Weight:
608.6422
IUPAC Name:
5-[(4-methoxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-methoxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
InChI:
InChI=1S/C28H24N4O8S2/c1-39-25-13-9-21(10-14-25)29-31-23-7-5-19(27(17-23)41(33,34)35)3-4-20-6-8-24(18-28(20)42(36,37)38)32-30-22-11-15-26(40-2)16-12-22/h3-18H,1-2H3,(H,33,34,35)(H,36,37,38)/b4-3+,31-29?,32-30?
InChI Key:
ARNYAFUSKMSJTN-FPDVXUDYSA-N
SMILES:
COc1ccc(cc1)N=Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)N=Nc1ccc(cc1)OC
EC Number:
274-046-7
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
608.104g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
608.64g/mol
Monoisotopic Mass:
608.104g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
193A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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