1-azanyl-4-oxidanyl-2-phenyl-3-(1-sulfanylethoxy)anthracene-9,10-dione

Systemtic Name: 1-azanyl-4-oxidanyl-2-phenyl-3-(1-sulfanylethoxy)anthracene-9,10-dione Openeye Name: 1-amino-4-hydroxy-2-phenyl-3-(1-sulfanylethoxy)anthracene-9,10-dione CAS Name: 1-amino-4-hydroxy-3-(1-mercaptoethoxy)-2-phenylanthracene-9,10-dione IUPAC Name: 1-amino-4-hydroxy-2-phenyl-3-(1-sulfanylethoxy)anthracene-9,10-dione Traditional Name: 1-amino-4-hydroxy-3-(1-mercaptoethoxy)-2-phenyl-9,10-anthraquinone Formula: C22H17NO4S MolecularWeight: 391.43968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(OC1=C(C2=C(C(=C1C3=CC=CC=C3)N)C(=O)C4=CC=CC=C4C2=O)O)S

Isomeric SMILES

CC(OC1=C(C2=C(C(=C1C3=CC=CC=C3)N)C(=O)C4=CC=CC=C4C2=O)O)S

InChI

InChI=1S/C22H17NO4S/c1-11(28)27-22-15(12-7-3-2-4-8-12)18(23)16-17(21(22)26)20(25)14-10-6-5-9-13(14)19(16)24/h2-11,26,28H,23H2,1H3