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128-99-4 | 2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-4-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-
CAS No: 128-99-4 Catalog No: AG000XP8 MDL No:
Product Description
Catalog Number:
AG000XP8
Chemical Name:
2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-4-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-
CAS Number:
128-99-4
Molecular Formula:
C20H15N3O8S2
Molecular Weight:
489.4784
IUPAC Name:
1-amino-4-(3-amino-4-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid
InChI:
InChI=1S/C20H15N3O8S2/c21-12-7-9(5-6-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31)
InChI Key:
ZOHPJXCEVYGLJT-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1c(N)c(cc2Nc1ccc(c(c1)N)S(=O)(=O)O)S(=O)(=O)O
EC Number:
204-926-8
UNII:
664OYN0ZL9
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.03g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
489.473g/mol
Monoisotopic Mass:
489.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
224A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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