5-azanyl-2-[[4-(methylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[[4-(methylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid Openeye Name: 5-amino-2-[[4-(methylamino)-9,10-dioxo-1-anthryl]amino]benzenesulfonic acid CAS Name: 5-amino-2-[[4-(methylamino)-9,10-dioxo-1-anthracenyl]amino]benzenesulfonic acid IUPAC Name: 5-amino-2-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid Traditional Name: 5-amino-2-[[9,10-diketo-4-(methylamino)-1-anthryl]amino]besylic acid Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O5S/c1-23-15-8-9-16(24-14-7-6-11(22)10-17(14)30(27,28)29)19-18(15)20(25)12-4-2-3-5-13(12)21(19)26/h2-10,23-24H,22H2,1H3,(H,27,28,29)