8-[(4-aminophenyl)amino]-5-azanyl-9,10-bis(oxidanylidene)anthracene-1,4,6-trisulfonic acid

Systemtic Name: 8-[(4-aminophenyl)amino]-5-azanyl-9,10-bis(oxidanylidene)anthracene-1,4,6-trisulfonic acid Openeye Name: 5-amino-8-(4-aminoanilino)-9,10-dioxo-anthracene-1,4,6-trisulfonic acid CAS Name: 5-amino-8-(4-aminoanilino)-9,10-dioxoanthracene-1,4,6-trisulfonic acid IUPAC Name: 5-amino-8-(4-aminoanilino)-9,10-dioxoanthracene-1,4,6-trisulfonic acid Traditional Name: 5-amino-8-(4-aminoanilino)-9,10-diketo-anthracene-1,4,6-trisulfonic acid Formula: C20H15N3O11S3 MolecularWeight: 569.5416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)NC2=CC(=C(C3=C2C(=O)C4=C(C=CC(=C4C3=O)S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N)NC2=CC(=C(C3=C2C(=O)C4=C(C=CC(=C4C3=O)S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C20H15N3O11S3/c21-8-1-3-9(4-2-8)23-10-7-13(37(32,33)34)18(22)17-14(10)19(24)15-11(35(26,27)28)5-6-12(36(29,30)31)16(15)20(17)25/h1-7,23H,21-22H2,(H,26,27,28)(H,29,30,31)(H,32,33,34)