2-azanyl-4-[[4-azanyl-3-methyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[[4-azanyl-3-methyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid Openeye Name: 2-amino-4-[(4-amino-3-methyl-9,10-dioxo-1-anthryl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[(4-amino-3-methyl-9,10-dioxo-1-anthracenyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(4-amino-3-methyl-9,10-dioxoanthracen-1-yl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-[(4-amino-9,10-diketo-3-methyl-1-anthryl)amino]besylic acid Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)NC4=CC(=C(C=C4)S(=O)(=O)O)N

Isomeric SMILES

CC1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)NC4=CC(=C(C=C4)S(=O)(=O)O)N

InChI

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