[6-[(4-methylphenyl)sulfonyloxymethyl]cyclohex-3-en-1-yl]methyl 4-nitrobenzoate

Systemtic Name: [6-[(4-methylphenyl)sulfonyloxymethyl]cyclohex-3-en-1-yl]methyl 4-nitrobenzoate Openeye Name: [6-(p-tolylsulfonyloxymethyl)cyclohex-3-en-1-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [6-[(4-methylphenyl)sulfonyloxymethyl]-1-cyclohex-3-enyl]methyl ester IUPAC Name: [6-[(4-methylphenyl)sulfonyloxymethyl]cyclohex-3-en-1-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [6-(tosyloxymethyl)cyclohex-3-en-1-yl]methyl ester Formula: C22H23NO7S MolecularWeight: 445.48552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC=CCC2COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC=CCC2COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23NO7S/c1-16-6-12-21(13-7-16)31(27,28)30-15-19-5-3-2-4-18(19)14-29-22(24)17-8-10-20(11-9-17)23(25)26/h2-3,6-13,18-19H,4-5,14-15H2,1H3