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

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[(3,3,5-trimethylcyclohexyl)amino]anthracene-2-sulfonic acid Openeye Name: 1-amino-9,10-dioxo-4-[(3,3,5-trimethylcyclohexyl)amino]anthracene-2-sulfonic acid CAS Name: 1-amino-9,10-dioxo-4-[(3,3,5-trimethylcyclohexyl)amino]-2-anthracenesulfonic acid IUPAC Name: 1-amino-9,10-dioxo-4-[(3,3,5-trimethylcyclohexyl)amino]anthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[(3,3,5-trimethylcyclohexyl)amino]anthracene-2-sulfonic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

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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

Isomeric SMILES

CC1CC(CC(C1)(C)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C23H26N2O5S/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)