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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)(C)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1CCC(C(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/c1-12-8-9-17(23(2,3)11-12)25-15-10-16(31(28,29)30)20(24)19-18(15)21(26)13-6-4-5-7-14(13)22(19)27;/h4-7,10,12,17,25H,8-9,11,24H2,1-3H3,(H,28,29,30);/q;+1/p-1