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79817-77-9 | SODIUM 1-AMINO-9,10-DIHYDRO-4-[(4-METHYL-3-NITROPHENYL)AMINO]-9,10-DIOXOANTHRACENE-2-SULFONATE
CAS No: 79817-77-9 Catalog No: AG00564Y MDL No:
Product Description
Catalog Number:
AG00564Y
Chemical Name:
SODIUM 1-AMINO-9,10-DIHYDRO-4-[(4-METHYL-3-NITROPHENYL)AMINO]-9,10-DIOXOANTHRACENE-2-SULFONATE
CAS Number:
79817-77-9
Molecular Formula:
C21H14N3NaO7S
Molecular Weight:
475.4065
IUPAC Name:
sodium;1-amino-4-(4-methyl-3-nitroanilino)-9,10-dioxoanthracene-2-sulfonate
InChI:
InChI=1S/C21H15N3O7S.Na/c1-10-6-7-11(8-15(10)24(27)28)23-14-9-16(32(29,30)31)19(22)18-17(14)20(25)12-4-2-3-5-13(12)21(18)26;/h2-9,23H,22H2,1H3,(H,29,30,31);/q;+1/p-1
InChI Key:
UGCYMWVWVJAOBG-UHFFFAOYSA-M
SMILES:
Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)[O-])Nc1ccc(c(c1)[N+](=O)[O-])C.[Na+]
EC Number:
279-307-9
Properties
Complexity:
870
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.045g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
475.407g/mol
Monoisotopic Mass:
475.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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