2-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]amino]-5-(trifluoromethyl)benzoate

Systemtic Name: 2-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfonato-anthracen-1-yl]amino]-5-(trifluoromethyl)benzoate Openeye Name: 2-[(4-amino-9,10-dioxo-3-sulfonato-1-anthryl)amino]-5-(trifluoromethyl)benzoate CAS Name: 2-[(4-amino-9,10-dioxo-3-sulfonato-1-anthracenyl)amino]-5-(trifluoromethyl)benzoate IUPAC Name: 2-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-5-(trifluoromethyl)benzoate Traditional Name: 2-[(4-amino-9,10-diketo-3-sulfonato-1-anthryl)amino]-5-(trifluoromethyl)benzoate Formula: C22H11F3N2O7S-2 MolecularWeight: 504.39215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=C(C=C4)C(F)(F)F)C(=O)[O-])S(=O)(=O)[O-])N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=C(C=C4)C(F)(F)F)C(=O)[O-])S(=O)(=O)[O-])N

InChI

InChI=1S/C22H13F3N2O7S/c23-22(24,25)9-5-6-13(12(7-9)21(30)31)27-14-8-15(35(32,33)34)18(26)17-16(14)19(28)10-3-1-2-4-11(10)20(17)29/h1-8,27H,26H2,(H,30,31)(H,32,33,34)/p-2