sodium 1-azanyl-4-[(3-azanylcyclohexyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-4-[(3-azanylcyclohexyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: sodium 1-amino-4-[(3-aminocyclohexyl)amino]-9,10-dioxo-anthracene-2-sulfonate CAS Name: sodium 1-amino-4-[(3-aminocyclohexyl)amino]-9,10-dioxo-2-anthracenesulfonate IUPAC Name: sodium 1-amino-4-[(3-aminocyclohexyl)amino]-9,10-dioxoanthracene-2-sulfonate Traditional Name: sodium 1-amino-4-[(3-aminocyclohexyl)amino]-9,10-diketo-anthracene-2-sulfonate Formula: C20H20N3NaO5S MolecularWeight: 437.44467

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1CC(CC(C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])N.[Na+]

InChI

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