2-[dimethyl(sulfinato)azaniumyl]-1-methyl-4-(2-oxidanyl-4-oxidanylidene-3-propanoyl-cyclohex-2-en-1-yl)benzene

Systemtic Name: 2-[dimethyl(sulfinato)azaniumyl]-1-methyl-4-(2-oxidanyl-4-oxidanylidene-3-propanoyl-cyclohex-2-en-1-yl)benzene Openeye Name: 2-[dimethyl(sulfinato)ammonio]-4-(2-hydroxy-4-oxo-3-propanoyl-cyclohex-2-en-1-yl)-1-methyl-benzene CAS Name: 2-[dimethyl(sulfinato)ammonio]-4-[2-hydroxy-4-oxo-3-(1-oxopropyl)-1-cyclohex-2-enyl]-1-methylbenzene IUPAC Name: 2-[dimethyl(sulfinato)azaniumyl]-4-(2-hydroxy-4-oxo-3-propanoylcyclohex-2-en-1-yl)-1-methylbenzene Traditional Name: 2-[dimethyl(sulfinato)ammonio]-4-(2-hydroxy-4-keto-3-propionyl-cyclohex-2-en-1-yl)-1-methyl-benzene Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(CCC1=O)C2=CC(=C(C=C2)C)[N+](C)(C)S(=O)[O-])O

Isomeric SMILES

CCC(=O)C1=C(C(CCC1=O)C2=CC(=C(C=C2)C)[N+](C)(C)S(=O)[O-])O

InChI

InChI=1S/C18H23NO5S/c1-5-15(20)17-16(21)9-8-13(18(17)22)12-7-6-11(2)14(10-12)19(3,4)25(23)24/h6-7,10,13H,5,8-9H2,1-4H3,(H-,20,21,22,23,24)