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83400-09-3 | 5-ethoxy-4-hydroxy-3-[[4-(6-methylbenzothiazol-2-yl)phenyl]azo]naphthalene-2,7-disulphonic acid, sodium salt
CAS No: 83400-09-3 Catalog No: AG00GP93 MDL No:
Product Description
Catalog Number:
AG00GP93
Chemical Name:
5-ethoxy-4-hydroxy-3-[[4-(6-methylbenzothiazol-2-yl)phenyl]azo]naphthalene-2,7-disulphonic acid, sodium salt
CAS Number:
83400-09-3
IUPAC Name:
disodium;5-ethoxy-4-hydroxy-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]diazenyl]naphthalene-2,7-disulfonate
InChI:
InChI=1S/C26H21N3O8S3.2Na/c1-3-37-20-13-18(39(31,32)33)11-16-12-22(40(34,35)36)24(25(30)23(16)20)29-28-17-7-5-15(6-8-17)26-27-19-9-4-14(2)10-21(19)38-26;;/h4-13,30H,3H2,1-2H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2
InChI Key:
ICFCYNDQUKTPDR-UHFFFAOYSA-L
Properties
Complexity:
1090
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
643.013g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
643.611g/mol
Monoisotopic Mass:
643.013g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
227A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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