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24910-74-5 | 2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
CAS No: 24910-74-5 Catalog No: AG002PV2 MDL No:
Product Description
Catalog Number:
AG002PV2
Chemical Name:
2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
CAS Number:
24910-74-5
Molecular Formula:
C23H20N3Na2O8S2+
Molecular Weight:
576.5297
IUPAC Name:
disodium;1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate
InChI:
InChI=1S/C23H21N3O8S2.2Na/c1-9-18(24)10(2)23(36(32,33)34)11(3)20(9)26-14-8-15(35(29,30)31)19(25)17-16(14)21(27)12-6-4-5-7-13(12)22(17)28;;/h4-8,26H,24-25H2,1-3H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
InChI Key:
IOXGVKGDAGIFSV-UHFFFAOYSA-L
SMILES:
O=C1c2ccccc2C(=O)c2c1c(Nc1c(C)c(N)c(c(c1C)S(=O)(=O)O)C)cc(c2N)S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
246-526-6
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
575.041g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
575.518g/mol
Monoisotopic Mass:
575.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
229A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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