200,000+ products from a single source!
sales@angenechem.com
84963-16-6 | Benzoic acid,2-[[2-amino-6-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]-7-sulfo-1-naphthalenyl]azo]-2,5-dimethoxyphenyl]azo]-5-hydroxy-7-sulfo-1-naphthalenyl]azo]-5-nitro-,sodium salt (9CI)
CAS No: 84963-16-6 Catalog No: AG004UTE MDL No:
Product Description
Catalog Number:
AG004UTE
Chemical Name:
Benzoic acid,2-[[2-amino-6-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]-7-sulfo-1-naphthalenyl]azo]-2,5-dimethoxyphenyl]azo]-5-hydroxy-7-sulfo-1-naphthalenyl]azo]-5-nitro-,sodium salt (9CI)
CAS Number:
84963-16-6
Molecular Formula:
C42H29N10NaO16S2
Molecular Weight:
1016.8568
IUPAC Name:
tetrasodium;5-[[4-[[4-[[6-amino-5-[(2-carboxylato-4-nitrophenyl)diazenyl]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-2,5-dimethoxyphenyl]diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-2-hydroxybenzoate
InChI:
InChI=1S/C42H30N10O16S2.4Na/c1-67-35-18-33(49-51-39-37(70(64,65)66)16-25-23(40(39)54)7-8-28(43)38(25)50-47-31-9-4-20(52(59)60)14-26(31)41(55)56)36(68-2)17-32(35)48-46-30-11-10-29(22-6-5-21(15-24(22)30)69(61,62)63)45-44-19-3-12-34(53)27(13-19)42(57)58;;;;/h3-18,53-54H,43H2,1-2H3,(H,55,56)(H,57,58)(H,61,62,63)(H,64,65,66);;;;/q;4*+1/p-4
InChI Key:
IZOQBFQNGWEGKO-UHFFFAOYSA-J
SMILES:
COc1cc(N=Nc2ccc(c3c2cc(cc3)S(=O)(=O)O)N=Nc2ccc(c(c2)C(=O)O)O)c(cc1N=Nc1c(O)c2ccc(c(c2cc1S(=O)(=O)O)N=Nc1ccc(cc1C(=O)[O-])[N+](=O)[O-])N)OC.[Na+]
EC Number:
284-816-4
Properties
Complexity:
2170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1082.056g/mol
Formal Charge:
0
Heavy Atom Count:
74
Hydrogen Bond Acceptor Count:
25
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
1082.803g/mol
Monoisotopic Mass:
1082.056g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
441A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.