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84285-28-9 | Benzenesulfonamide,3-[[1-(4,5-dimethyl-3,6-dioxo-2-propyl-1,4-cyclohexadien-1-yl)tetradecyl]sulfonyl]-N-[5-hydroxy-8-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]-1-naphthalenyl]-
CAS No: 84285-28-9 Catalog No: AG004TIH MDL No:
Product Description
Catalog Number:
AG004TIH
Chemical Name:
Benzenesulfonamide,3-[[1-(4,5-dimethyl-3,6-dioxo-2-propyl-1,4-cyclohexadien-1-yl)tetradecyl]sulfonyl]-N-[5-hydroxy-8-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]-1-naphthalenyl]-
CAS Number:
84285-28-9
Molecular Formula:
C48H58N4O11S3
Molecular Weight:
963.1893
IUPAC Name:
3-[1-(4,5-dimethyl-3,6-dioxo-2-propylcyclohexa-1,4-dien-1-yl)tetradecylsulfonyl]-N-[5-hydroxy-8-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-yl]benzenesulfonamide
InChI:
InChI=1S/C48H58N4O11S3/c1-6-8-9-10-11-12-13-14-15-16-17-25-43(46-38(20-7-2)47(54)32(3)33(4)48(46)55)65(60,61)35-21-18-22-36(31-35)66(62,63)51-41-24-19-23-37-42(53)29-28-40(45(37)41)50-49-39-27-26-34(52(56)57)30-44(39)64(5,58)59/h18-19,21-24,26-31,43,51,53H,6-17,20,25H2,1-5H3
InChI Key:
CFCNSPRNIQVZPZ-UHFFFAOYSA-N
SMILES:
CCCC1=C(C(=O)C(=C(C1=O)C)C)C(S(=O)(=O)c1cccc(c1)S(=O)(=O)Nc1cccc2c1c(ccc2O)N=Nc1ccc(cc1S(=O)(=O)C)[N+](=O)[O-])CCCCCCCCCCCCC
EC Number:
282-694-7
Properties
Complexity:
2120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
962.326g/mol
Formal Charge:
0
Heavy Atom Count:
66
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
963.189g/mol
Monoisotopic Mass:
962.326g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
265A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.8
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