[(E)-3-[6-ethyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]prop-1-enyl] 3-methylbenzoate

Systemtic Name: [(E)-3-[6-ethyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]prop-1-enyl] 3-methylbenzoate Openeye Name: [(E)-3-[6-ethyl-7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-1H-isobenzofuran-5-yl]prop-1-enyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(E)-3-[6-ethyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]prop-1-enyl] ester IUPAC Name: [(E)-3-[6-ethyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]prop-1-enyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(E)-3-(6-ethyl-3-keto-7-methyl-4-tosyloxy-phthalan-5-yl)prop-1-enyl] ester Formula: C29H28O7S MolecularWeight: 520.59342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC=COC(=O)C3=CC(=CC=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C/C=C/OC(=O)C3=CC(=CC=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC2)C

InChI

InChI=1S/C29H28O7S/c1-5-23-20(4)25-17-35-29(31)26(25)27(36-37(32,33)22-13-11-18(2)12-14-22)24(23)10-7-15-34-28(30)21-9-6-8-19(3)16-21/h6-9,11-16H,5,10,17H2,1-4H3/b15-7+