4-methylbenzenesulfonate; triethyl-[1-[(E)-1-[(4-nitrophenyl)methoxy]-1-oxidanyl-3-oxidanylidene-pent-1-en-2-yl]-4-oxidanylidene-azetidin-2-yl]azanium

Systemtic Name: 4-methylbenzenesulfonate; triethyl-[1-[(E)-1-[(4-nitrophenyl)methoxy]-1-oxidanyl-3-oxidanylidene-pent-1-en-2-yl]-4-oxidanylidene-azetidin-2-yl]azanium Openeye Name: 4-methylbenzenesulfonate; triethyl-[1-[(1E)-1-[hydroxy-[(4-nitrophenyl)methoxy]methylene]-2-oxo-butyl]-4-oxo-azetidin-2-yl]ammonium CAS Name: 4-methylbenzenesulfonate; triethyl-[1-[(E)-1-hydroxy-1-[(4-nitrophenyl)methoxy]-3-oxopent-1-en-2-yl]-4-oxo-2-azetidinyl]ammonium IUPAC Name: 4-methylbenzenesulfonate; triethyl-[1-[(E)-1-hydroxy-1-[(4-nitrophenyl)methoxy]-3-oxopent-1-en-2-yl]-4-oxoazetidin-2-yl]azanium Traditional Name: triethyl-[1-[(E)-2-hydroxy-2-(4-nitrobenzyl)oxy-1-propionyl-vinyl]-4-keto-azetidin-2-yl]ammonium tosylate Formula: C28H37N3O9S MolecularWeight: 591.67308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=C(O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(CC2=O)[N+](CC)(CC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC(=O)/C(=C(/O)\OCC1=CC=C(C=C1)[N+](=O)[O-])/N2C(CC2=O)[N+](CC)(CC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C21H29N3O6.C7H8O3S/c1-5-17(25)20(22-18(13-19(22)26)24(6-2,7-3)8-4)21(27)30-14-15-9-11-16(12-10-15)23(28)29;1-6-2-4-7(5-3-6)11(8,9)10/h9-12,18H,5-8,13-14H2,1-4H3;2-5H,1H3,(H,8,9,10)