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74082-23-8 | 1,3-Naphthalenedisulfonicacid, 7,7'-[carbonylbis[imino(3-methoxy-4,1-phenylene)-2,1-diazenediyl]]bis-
CAS No: 74082-23-8 Catalog No: AG005HM4 MDL No:
Product Description
Catalog Number:
AG005HM4
Chemical Name:
1,3-Naphthalenedisulfonicacid, 7,7'-[carbonylbis[imino(3-methoxy-4,1-phenylene)-2,1-diazenediyl]]bis-
CAS Number:
74082-23-8
Molecular Formula:
C35H28N6O15S4
Molecular Weight:
900.8880
IUPAC Name:
7-[[4-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-2-methoxyphenyl]carbamoylamino]-3-methoxyphenyl]diazenyl]naphthalene-1,3-disulfonic acid
InChI:
InChI=1S/C35H28N6O15S4/c1-55-31-15-23(40-38-21-5-3-19-11-25(57(43,44)45)17-33(27(19)13-21)59(49,50)51)7-9-29(31)36-35(42)37-30-10-8-24(16-32(30)56-2)41-39-22-6-4-20-12-26(58(46,47)48)18-34(28(20)14-22)60(52,53)54/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)
InChI Key:
SKMUVNZZRKYVRG-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1NC(=O)Nc1ccc(cc1OC)N=Nc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)N=Nc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
1880
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
900.05g/mol
Formal Charge:
0
Heavy Atom Count:
60
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
900.876g/mol
Monoisotopic Mass:
900.05g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
360A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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