sodium 1-azanyl-4-[(2-carboxy-5-fluoranyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-[(2-carboxy-5-fluoranyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(2-carboxy-5-fluoro-anilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(2-carboxy-5-fluoroanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(2-carboxy-5-fluoroanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(2-carboxy-5-fluoro-anilino)-9,10-diketo-anthracene-2-sulfonate Formula: C21H12FN2NaO7S MolecularWeight: 478.382353

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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=CC(=C4)F)C(=O)O)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C21H13FN2O7S.Na/c22-9-5-6-12(21(27)28)13(7-9)24-14-8-15(32(29,30)31)18(23)17-16(14)19(25)10-3-1-2-4-11(10)20(17)26;/h1-8,24H,23H2,(H,27,28)(H,29,30,31);/q;+1/p-1