2-[(4,5-dimethoxy-2-nitro-phenyl)-ethylsulfanyl-methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)-ethylsulfanyl-methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)-ethylsulfanyl-methyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-[(4,5-dimethoxy-2-nitrophenyl)-(ethylthio)methyl]-3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-[(4,5-dimethoxy-2-nitrophenyl)-ethylsulfanylmethyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)-(ethylthio)methyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C19H25NO6S MolecularWeight: 395.4699

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1=CC(=C(C=C1[N+](=O)[O-])OC)OC)C2=C(CC(CC2=O)(C)C)O

Isomeric SMILES

CCSC(C1=CC(=C(C=C1[N+](=O)[O-])OC)OC)C2=C(CC(CC2=O)(C)C)O

InChI

InChI=1S/C19H25NO6S/c1-6-27-18(17-13(21)9-19(2,3)10-14(17)22)11-7-15(25-4)16(26-5)8-12(11)20(23)24/h7-8,18,21H,6,9-10H2,1-5H3