sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[(2,4,6-trimethylphenyl)amino]anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[(2,4,6-trimethylphenyl)amino]anthracene-2-sulfonate Openeye Name: sodium 1-amino-9,10-dioxo-4-(2,4,6-trimethylanilino)anthracene-2-sulfonate CAS Name: sodium 1-amino-9,10-dioxo-4-(2,4,6-trimethylanilino)-2-anthracenesulfonate IUPAC Name: sodium 1-amino-9,10-dioxo-4-(2,4,6-trimethylanilino)anthracene-2-sulfonate Traditional Name: sodium 1-amino-9,10-diketo-4-mesidino-anthracene-2-sulfonate Formula: C23H19N2NaO5S MolecularWeight: 458.46213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C23H20N2O5S.Na/c1-11-8-12(2)21(13(3)9-11)25-16-10-17(31(28,29)30)20(24)19-18(16)22(26)14-6-4-5-7-15(14)23(19)27;/h4-10,25H,24H2,1-3H3,(H,28,29,30);/q;+1/p-1