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

Systemtic Name: 2-azanyl-4-[[4-azanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid Openeye Name: 2-amino-4-[(4-amino-9,10-dioxo-1-anthryl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[(4-amino-9,10-dioxo-1-anthracenyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(4-amino-9,10-dioxoanthracen-1-yl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-[(4-amino-9,10-diketo-1-anthryl)amino]besylic acid Formula: C20H15N3O5S MolecularWeight: 409.4152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NC4=CC(=C(C=C4)S(=O)(=O)O)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NC4=CC(=C(C=C4)S(=O)(=O)O)N)N

InChI

InChI=1S/C20H15N3O5S/c21-13-6-7-15(23-10-5-8-16(14(22)9-10)29(26,27)28)18-17(13)19(24)11-3-1-2-4-12(11)20(18)25/h1-9,23H,21-22H2,(H,26,27,28)