200,000+ products from a single source!
sales@angenechem.com
85135-91-7 | TETRASODIUM 8-HYDROXY-7-[[4'-[[1-HYDROXY-6-(PHENYLAMINO)-3-SULFONATO-2-NAPHTHYL]AZO]-3,3'-DIMETHOXY[1,1'-BIPHENYL]-4-YL]AZO]NAPHTHALENE-1,3,6-TRISULFONATE
CAS No: 85135-91-7 Catalog No: AG004XBK MDL No:
Product Description
Catalog Number:
AG004XBK
Chemical Name:
TETRASODIUM 8-HYDROXY-7-[[4'-[[1-HYDROXY-6-(PHENYLAMINO)-3-SULFONATO-2-NAPHTHYL]AZO]-3,3'-DIMETHOXY[1,1'-BIPHENYL]-4-YL]AZO]NAPHTHALENE-1,3,6-TRISULFONATE
CAS Number:
85135-91-7
Molecular Formula:
C40H27N5Na4O16S4
Molecular Weight:
1053.8854
IUPAC Name:
tetrasodium;7-[[4-[4-[(6-anilino-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-8-hydroxynaphthalene-1,3,6-trisulfonate
InChI:
InChI=1S/C40H31N5O16S4.4Na/c1-60-31-16-21(8-12-29(31)42-44-37-34(64(54,55)56)18-23-14-26(10-11-28(23)39(37)46)41-25-6-4-3-5-7-25)22-9-13-30(32(17-22)61-2)43-45-38-35(65(57,58)59)19-24-15-27(62(48,49)50)20-33(63(51,52)53)36(24)40(38)47;;;;/h3-20,41,46-47H,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);;;;/q;4*+1/p-4
InChI Key:
SWCCCMBPIOGJSD-UHFFFAOYSA-J
SMILES:
COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)[O-])Nc1ccccc1)c1ccc(c(c1)OC)N=Nc1c(O)c2c(cc1S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
EC Number:
285-712-1
Properties
Complexity:
2090
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1052.993g/mol
Formal Charge:
0
Heavy Atom Count:
69
Hydrogen Bond Acceptor Count:
21
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
1053.874g/mol
Monoisotopic Mass:
1052.993g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
383A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.