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14674-83-0 | Benzoic acid, 2-[2-[7-[2-(2-arsonophenyl)diazenyl]-1,8-dihydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:2)
CAS No: 14674-83-0 Catalog No: AG001EAN MDL No:
Product Description
Catalog Number:
AG001EAN
Chemical Name:
Benzoic acid, 2-[2-[7-[2-(2-arsonophenyl)diazenyl]-1,8-dihydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:2)
CAS Number:
14674-83-0
Molecular Formula:
C23H16AsN4Na2O13S2+
Molecular Weight:
741.4233
IUPAC Name:
disodium;3-[(2-arsonophenyl)diazenyl]-6-[(2-carboxyphenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonate
InChI:
InChI=1S/C23H17AsN4O13S2.2Na/c29-21-18-11(9-16(42(36,37)38)19(21)27-25-14-7-3-1-5-12(14)23(31)32)10-17(43(39,40)41)20(22(18)30)28-26-15-8-4-2-6-13(15)24(33,34)35;;/h1-10,29-30H,(H,31,32)(H2,33,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2
InChI Key:
CSAPCZMCZFCISN-UHFFFAOYSA-L
SMILES:
[O-]C(=O)c1ccccc1N=Nc1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1[As](=O)(O)O)S(=O)(=O)O.[Na+].[Na+]
EC Number:
238-715-7
Properties
Complexity:
1320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
739.909g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
740.409g/mol
Monoisotopic Mass:
739.909g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
316A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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