sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[(3,3,5-trimethylcyclohexyl)amino]anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[(3,3,5-trimethylcyclohexyl)amino]anthracene-2-sulfonate Openeye Name: sodium 1-amino-9,10-dioxo-4-[(3,3,5-trimethylcyclohexyl)amino]anthracene-2-sulfonate CAS Name: sodium 1-amino-9,10-dioxo-4-[(3,3,5-trimethylcyclohexyl)amino]-2-anthracenesulfonate IUPAC Name: sodium 1-amino-9,10-dioxo-4-[(3,3,5-trimethylcyclohexyl)amino]anthracene-2-sulfonate Traditional Name: sodium 1-amino-9,10-diketo-4-[(3,3,5-trimethylcyclohexyl)amino]anthracene-2-sulfonate Formula: C23H25N2NaO5S MolecularWeight: 464.50977

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1CC(CC(C1)(C)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C23H26N2O5S.Na/c1-12-8-13(11-23(2,3)10-12)25-16-9-17(31(28,29)30)20(24)19-18(16)21(26)14-6-4-5-7-15(14)22(19)27;/h4-7,9,12-13,25H,8,10-11,24H2,1-3H3,(H,28,29,30);/q;+1/p-1