sodium 5-[[4-azanyl-3-methyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-methyl-benzenesulfonate

Systemtic Name: sodium 5-[[4-azanyl-3-methyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-methyl-benzenesulfonate Openeye Name: sodium 5-[(4-amino-3-methyl-9,10-dioxo-1-anthryl)amino]-2-methyl-benzenesulfonate CAS Name: sodium 5-[(4-amino-3-methyl-9,10-dioxo-1-anthracenyl)amino]-2-methylbenzenesulfonate IUPAC Name: sodium 5-[(4-amino-3-methyl-9,10-dioxoanthracen-1-yl)amino]-2-methylbenzenesulfonate Traditional Name: sodium 5-[(4-amino-9,10-diketo-3-methyl-1-anthryl)amino]-2-methyl-besylate Formula: C22H17N2NaO5S MolecularWeight: 444.43555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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