azanium 1-azanyl-4-(cyclohexylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: azanium 1-azanyl-4-(cyclohexylamino)-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: ammonium 1-amino-4-(cyclohexylamino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: ammonium 1-amino-4-(cyclohexylamino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: azanium 1-amino-4-(cyclohexylamino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: ammonium 1-amino-4-(cyclohexylamino)-9,10-diketo-anthracene-2-sulfonate Formula: C20H23N3O5S MolecularWeight: 417.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

C1CCC(CC1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C20H20N2O5S.H3N/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23;/h4-5,8-11,22H,1-3,6-7,21H2,(H,25,26,27);1H3