1-phenylsulfanyl-4-[(2,4,6-trimethylphenyl)amino]anthracene-9,10-dione

Systemtic Name: 1-phenylsulfanyl-4-[(2,4,6-trimethylphenyl)amino]anthracene-9,10-dione Openeye Name: 1-phenylsulfanyl-4-(2,4,6-trimethylanilino)anthracene-9,10-dione CAS Name: 1-(phenylthio)-4-(2,4,6-trimethylanilino)anthracene-9,10-dione IUPAC Name: 1-phenylsulfanyl-4-(2,4,6-trimethylanilino)anthracene-9,10-dione Traditional Name: 1-mesidino-4-(phenylthio)-9,10-anthraquinone Formula: C29H23NO2S MolecularWeight: 449.56342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=C3C(=C(C=C2)SC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=C3C(=C(C=C2)SC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)C

InChI

InChI=1S/C29H23NO2S/c1-17-15-18(2)27(19(3)16-17)30-23-13-14-24(33-20-9-5-4-6-10-20)26-25(23)28(31)21-11-7-8-12-22(21)29(26)32/h4-16,30H,1-3H3