sodium 3-methyl-4-[[4-(methylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate

Systemtic Name: sodium 3-methyl-4-[[4-(methylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonate Openeye Name: sodium 3-methyl-4-[[4-(methylamino)-9,10-dioxo-1-anthryl]amino]benzenesulfonate CAS Name: sodium 3-methyl-4-[[4-(methylamino)-9,10-dioxo-1-anthracenyl]amino]benzenesulfonate IUPAC Name: sodium 3-methyl-4-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonate Traditional Name: sodium 4-[[9,10-diketo-4-(methylamino)-1-anthryl]amino]-3-methyl-besylate Formula: C22H17N2NaO5S MolecularWeight: 444.43555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)[O-])NC2=C3C(=C(C=C2)NC)C(=O)C4=CC=CC=C4C3=O.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[O-])NC2=C3C(=C(C=C2)NC)C(=O)C4=CC=CC=C4C3=O.[Na+]

InChI

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