1-azanyl-4-[(3-azanylcyclohexyl)amino]-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid

Systemtic Name: 1-azanyl-4-[(3-azanylcyclohexyl)amino]-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid Openeye Name: 1-amino-4-[(3-aminocyclohexyl)amino]-9,10-dioxo-anthracene-2,6-disulfonic acid CAS Name: 1-amino-4-[(3-aminocyclohexyl)amino]-9,10-dioxoanthracene-2,6-disulfonic acid IUPAC Name: 1-amino-4-[(3-aminocyclohexyl)amino]-9,10-dioxoanthracene-2,6-disulfonic acid Traditional Name: 1-amino-4-[(3-aminocyclohexyl)amino]-9,10-diketo-anthracene-2,6-disulfonic acid Formula: C20H21N3O8S2 MolecularWeight: 495.52604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC(=C4)S(=O)(=O)O)N)S(=O)(=O)O)N

Isomeric SMILES

C1CC(CC(C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC(=C4)S(=O)(=O)O)N)S(=O)(=O)O)N

InChI

InChI=1S/C20H21N3O8S2/c21-9-2-1-3-10(6-9)23-14-8-15(33(29,30)31)18(22)17-16(14)20(25)13-7-11(32(26,27)28)4-5-12(13)19(17)24/h4-5,7-10,23H,1-3,6,21-22H2,(H,26,27,28)(H,29,30,31)