1-azanyl-3-(2-tert-butylphenyl)-4-oxidanyl-2-sulfanyl-anthracene-9,10-dione

Systemtic Name: 1-azanyl-3-(2-tert-butylphenyl)-4-oxidanyl-2-sulfanyl-anthracene-9,10-dione Openeye Name: 1-amino-3-(2-tert-butylphenyl)-4-hydroxy-2-sulfanyl-anthracene-9,10-dione CAS Name: 1-amino-3-(2-tert-butylphenyl)-4-hydroxy-2-mercaptoanthracene-9,10-dione IUPAC Name: 1-amino-3-(2-tert-butylphenyl)-4-hydroxy-2-sulfanylanthracene-9,10-dione Traditional Name: 1-amino-3-(2-tert-butylphenyl)-4-hydroxy-2-mercapto-9,10-anthraquinone Formula: C24H21NO3S MolecularWeight: 403.49344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1C2=C(C3=C(C(=C2S)N)C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1C2=C(C3=C(C(=C2S)N)C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C24H21NO3S/c1-24(2,3)15-11-7-6-10-14(15)16-22(28)18-17(19(25)23(16)29)20(26)12-8-4-5-9-13(12)21(18)27/h4-11,28-29H,25H2,1-3H3