[8-ethoxy-7,7-dimethyl-1-(4-methylphenyl)sulfonyl-8-oxidanylidene-octyl]-methylidyne-azanium

Systemtic Name: [8-ethoxy-7,7-dimethyl-1-(4-methylphenyl)sulfonyl-8-oxidanylidene-octyl]-methylidyne-azanium Openeye Name: [8-ethoxy-7,7-dimethyl-8-oxo-1-(p-tolylsulfonyl)octyl]-methylidyne-ammonium CAS Name: [8-ethoxy-7,7-dimethyl-1-(4-methylphenyl)sulfonyl-8-oxooctyl]-methylidyneammonium IUPAC Name: [8-ethoxy-7,7-dimethyl-1-(4-methylphenyl)sulfonyl-8-oxooctyl]-methylidyneazanium Traditional Name: (8-ethoxy-8-keto-7,7-dimethyl-1-tosyl-octyl)-methylidyne-ammonium Formula: C20H30NO4S+ MolecularWeight: 380.5215

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCCC([N+]#C)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCCC([N+]#C)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C20H30NO4S/c1-6-25-19(22)20(3,4)15-9-7-8-10-18(21-5)26(23,24)17-13-11-16(2)12-14-17/h5,11-14,18H,6-10,15H2,1-4H3/q+1