sodium 1-azanyl-4-[(4-azanylcyclohexyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-[(4-azanylcyclohexyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-[(4-aminocyclohexyl)amino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-[(4-aminocyclohexyl)amino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-[(4-aminocyclohexyl)amino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-[(4-aminocyclohexyl)amino]-9,10-diketo-anthracene-2-sulfonate Formula: C20H20N3NaO5S MolecularWeight: 437.44467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CC(CCC1N)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H21N3O5S.Na/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25;/h1-4,9-11,23H,5-8,21-22H2,(H,26,27,28);/q;+1/p-1