5-azanyl-8-(cyclohexa-2,4-dien-1-ylamino)-9,10-bis(oxidanylidene)anthracene-1,4,6-trisulfonic acid

Systemtic Name: 5-azanyl-8-(cyclohexa-2,4-dien-1-ylamino)-9,10-bis(oxidanylidene)anthracene-1,4,6-trisulfonic acid Openeye Name: 5-amino-8-(cyclohexa-2,4-dien-1-ylamino)-9,10-dioxo-anthracene-1,4,6-trisulfonic acid CAS Name: 5-amino-8-(1-cyclohexa-2,4-dienylamino)-9,10-dioxoanthracene-1,4,6-trisulfonic acid IUPAC Name: 5-amino-8-(cyclohexa-2,4-dien-1-ylamino)-9,10-dioxoanthracene-1,4,6-trisulfonic acid Traditional Name: 5-amino-8-(cyclohexa-2,4-dien-1-ylamino)-9,10-diketo-anthracene-1,4,6-trisulfonic acid Formula: C20H16N2O11S3 MolecularWeight: 556.54284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1NC2=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

C1C=CC=CC1NC2=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/C20H16N2O11S3/c21-18-13(36(31,32)33)8-10(22-9-4-2-1-3-5-9)14-17(18)20(24)16-12(35(28,29)30)7-6-11(34(25,26)27)15(16)19(14)23/h1-4,6-9,22H,5,21H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)