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72152-65-9 | pentasodium 5-[[2,4-dihydroxy-5-[[4-(6-methylbenzothiazol-2-yl)-3-sulphonatophenyl]azo]phenyl]azo]-4-hydroxy-3-[[3-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2,7-disulphonate
CAS No: 72152-65-9 Catalog No: AG00FVLW MDL No:
Product Description
Catalog Number:
AG00FVLW
Chemical Name:
pentasodium 5-[[2,4-dihydroxy-5-[[4-(6-methylbenzothiazol-2-yl)-3-sulphonatophenyl]azo]phenyl]azo]-4-hydroxy-3-[[3-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2,7-disulphonate
CAS Number:
72152-65-9
IUPAC Name:
pentasodium;5-[[2,4-dihydroxy-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)-3-sulfonatophenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[[3-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
InChI:
InChI=1S/C42H29N9O18S6.5Na/c1-20-2-10-28-35(12-20)70-42(43-28)27-9-5-23(15-36(27)73(61,62)63)45-48-30-18-31(34(53)19-33(30)52)49-50-32-17-26(72(58,59)60)13-21-14-38(75(67,68)69)40(41(54)39(21)32)51-46-24-6-11-29(37(16-24)74(64,65)66)47-44-22-3-7-25(8-4-22)71(55,56)57;;;;;/h2-19,52-54H,1H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;;/q;5*+1/p-5
InChI Key:
NLKWMNQDZZJOEB-UHFFFAOYSA-I
EC Number:
276-417-9
Properties
Complexity:
2640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
6
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1248.905g/mol
Formal Charge:
0
Heavy Atom Count:
80
Hydrogen Bond Acceptor Count:
28
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
1250.008g/mol
Monoisotopic Mass:
1248.905g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
529A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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