1-azanyl-4-oxidanyl-2-(6-oxidanylhexylsulfanyl)anthracene-9,10-dione

Systemtic Name: 1-azanyl-4-oxidanyl-2-(6-oxidanylhexylsulfanyl)anthracene-9,10-dione Openeye Name: 1-amino-4-hydroxy-2-(6-hydroxyhexylsulfanyl)anthracene-9,10-dione CAS Name: 1-amino-4-hydroxy-2-(6-hydroxyhexylthio)anthracene-9,10-dione IUPAC Name: 1-amino-4-hydroxy-2-(6-hydroxyhexylsulfanyl)anthracene-9,10-dione Traditional Name: 1-amino-4-hydroxy-2-(6-hydroxyhexylthio)-9,10-anthraquinone Formula: C20H21NO4S MolecularWeight: 371.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)SCCCCCCO)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)SCCCCCCO)N

InChI

InChI=1S/C20H21NO4S/c21-18-15(26-10-6-2-1-5-9-22)11-14(23)16-17(18)20(25)13-8-4-3-7-12(13)19(16)24/h3-4,7-8,11,22-23H,1-2,5-6,9-10,21H2