8-azanyl-5-[(4-azanylcyclohexyl)amino]-9,10-bis(oxidanylidene)anthracene-1,7-disulfonic acid

Systemtic Name: 8-azanyl-5-[(4-azanylcyclohexyl)amino]-9,10-bis(oxidanylidene)anthracene-1,7-disulfonic acid Openeye Name: 8-amino-5-[(4-aminocyclohexyl)amino]-9,10-dioxo-anthracene-1,7-disulfonic acid CAS Name: 8-amino-5-[(4-aminocyclohexyl)amino]-9,10-dioxoanthracene-1,7-disulfonic acid IUPAC Name: 8-amino-5-[(4-aminocyclohexyl)amino]-9,10-dioxoanthracene-1,7-disulfonic acid Traditional Name: 8-amino-5-[(4-aminocyclohexyl)amino]-9,10-diketo-anthracene-1,7-disulfonic acid Formula: C20H21N3O8S2 MolecularWeight: 495.52604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C(=CC=C4)S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

C1CC(CCC1N)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C(=CC=C4)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C20H21N3O8S2/c21-9-4-6-10(7-5-9)23-12-8-14(33(29,30)31)18(22)17-16(12)19(24)11-2-1-3-13(32(26,27)28)15(11)20(17)25/h1-3,8-10,23H,4-7,21-22H2,(H,26,27,28)(H,29,30,31)