diethyl-octyl-[(1E,3E)-5-oxidanyl-5-oxidanylidene-4-(phenylsulfonyl)penta-1,3-dienyl]azanium

Systemtic Name: diethyl-octyl-[(1E,3E)-5-oxidanyl-5-oxidanylidene-4-(phenylsulfonyl)penta-1,3-dienyl]azanium Openeye Name: [(1E,3E)-4-(benzenesulfonyl)-5-hydroxy-5-oxo-penta-1,3-dienyl]-diethyl-octyl-ammonium CAS Name: [(1E,3E)-4-(benzenesulfonyl)-5-hydroxy-5-oxopenta-1,3-dienyl]-diethyl-octylammonium IUPAC Name: [(1E,3E)-4-(benzenesulfonyl)-5-hydroxy-5-oxopenta-1,3-dienyl]-diethyl-octylazanium Traditional Name: [(1E,3E)-4-besyl-5-hydroxy-5-keto-penta-1,3-dienyl]-diethyl-octyl-ammonium Formula: C23H36NO4S+ MolecularWeight: 422.60124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CC)(CC)C=CC=C(C(=O)O)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCC[N+](CC)(CC)/C=C/C=C(\C(=O)O)/S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C23H35NO4S/c1-4-7-8-9-10-14-19-24(5-2,6-3)20-15-18-22(23(25)26)29(27,28)21-16-12-11-13-17-21/h11-13,15-18,20H,4-10,14,19H2,1-3H3/p+1/b20-15+,22-18+