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

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

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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

Isomeric SMILES

CC1CCC(C(C1)(C)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C23H26N2O5S/c1-12-8-9-17(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)