4-[[4-(methylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[4-(methylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid Openeye Name: 4-[[4-(methylamino)-9,10-dioxo-1-anthryl]amino]benzenesulfonic acid CAS Name: 4-[[4-(methylamino)-9,10-dioxo-1-anthracenyl]amino]benzenesulfonic acid IUPAC Name: 4-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid Traditional Name: 4-[[9,10-diketo-4-(methylamino)-1-anthryl]amino]besylic acid Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C2C(=C(C=C1)NC3=CC=C(C=C3)S(=O)(=O)O)C(=O)C4=CC=CC=C4C2=O

Isomeric SMILES

CNC1=C2C(=C(C=C1)NC3=CC=C(C=C3)S(=O)(=O)O)C(=O)C4=CC=CC=C4C2=O

InChI

InChI=1S/C21H16N2O5S/c1-22-16-10-11-17(23-12-6-8-13(9-7-12)29(26,27)28)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3,(H,26,27,28)