[(E)-1-(4-methoxy-6-oxidanylidene-pyran-2-yl)-3-methyl-4-(4-nitrophenyl)but-3-en-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-1-(4-methoxy-6-oxidanylidene-pyran-2-yl)-3-methyl-4-(4-nitrophenyl)but-3-en-2-yl] 4-methylbenzenesulfonate Openeye Name: [(E)-1-[(4-methoxy-6-oxo-pyran-2-yl)methyl]-2-methyl-3-(4-nitrophenyl)allyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-1-(4-methoxy-6-oxo-2-pyranyl)-3-methyl-4-(4-nitrophenyl)but-3-en-2-yl] ester IUPAC Name: [(E)-1-(4-methoxy-6-oxopyran-2-yl)-3-methyl-4-(4-nitrophenyl)but-3-en-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-1-[(6-keto-4-methoxy-pyran-2-yl)methyl]-2-methyl-3-(4-nitrophenyl)allyl] ester Formula: C24H23NO8S MolecularWeight: 485.50632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CC2=CC(=CC(=O)O2)OC)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CC2=CC(=CC(=O)O2)OC)/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C

InChI

InChI=1S/C24H23NO8S/c1-16-4-10-22(11-5-16)34(29,30)33-23(14-21-13-20(31-3)15-24(26)32-21)17(2)12-18-6-8-19(9-7-18)25(27)28/h4-13,15,23H,14H2,1-3H3/b17-12+