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

Systemtic Name: 1-azanyl-4-[(4-azanylcyclohexyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[(4-aminocyclohexyl)amino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[(4-aminocyclohexyl)amino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[(4-aminocyclohexyl)amino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[(4-aminocyclohexyl)amino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

C1CC(CCC1N)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C20H21N3O5S/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)