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

Systemtic Name: sodium 1-azanyl-4-[(2,5-dimethylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-(2,5-dimethylanilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-(2,5-dimethylanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-(2,5-dimethylanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-(2,5-dimethylanilino)-9,10-diketo-anthracene-2-sulfonate Formula: C22H17N2NaO5S MolecularWeight: 444.43555

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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-].[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-].[Na+]

InChI

InChI=1S/C22H18N2O5S.Na/c1-11-7-8-12(2)15(9-11)24-16-10-17(30(27,28)29)20(23)19-18(16)21(25)13-5-3-4-6-14(13)22(19)26;/h3-10,24H,23H2,1-2H3,(H,27,28,29);/q;+1/p-1