sodium 1-azanyl-4-[(4-methylphenyl)sulfonylamino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-[(4-methylphenyl)sulfonylamino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-9,10-dioxo-4-(p-tolylsulfonylamino)anthracene-2-sulfonate CAS Name: sodium 1-amino-4-[(4-methylphenyl)sulfonylamino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-[(4-methylphenyl)sulfonylamino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-9,10-diketo-4-(tosylamino)anthracene-2-sulfonate Formula: C21H15N2NaO7S2 MolecularWeight: 494.47277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O7S2.Na/c1-11-6-8-12(9-7-11)31(26,27)23-15-10-16(32(28,29)30)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25;/h2-10,23H,22H2,1H3,(H,28,29,30);/q;+1/p-1