2-cyclohexylsulfanyl-1-(methylamino)-4-oxidanyl-anthracene-9,10-dione

Systemtic Name: 2-cyclohexylsulfanyl-1-(methylamino)-4-oxidanyl-anthracene-9,10-dione Openeye Name: 2-cyclohexylsulfanyl-4-hydroxy-1-(methylamino)anthracene-9,10-dione CAS Name: 2-(cyclohexylthio)-4-hydroxy-1-(methylamino)anthracene-9,10-dione IUPAC Name: 2-cyclohexylsulfanyl-4-hydroxy-1-(methylamino)anthracene-9,10-dione Traditional Name: 2-(cyclohexylthio)-4-hydroxy-1-(methylamino)-9,10-anthraquinone Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3C2=O)O)SC4CCCCC4

Isomeric SMILES

CNC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3C2=O)O)SC4CCCCC4

InChI

InChI=1S/C21H21NO3S/c1-22-19-16(26-12-7-3-2-4-8-12)11-15(23)17-18(19)21(25)14-10-6-5-9-13(14)20(17)24/h5-6,9-12,22-23H,2-4,7-8H2,1H3