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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1CC=CC3=C(C=CC=C3C)C(=O)O)OS(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C/C=C/C3=C(C=CC=C3C)C(=O)O)OS(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC2)C

InChI

InChI=1S/C29H28O7S/c1-5-21-19(4)25-16-35-29(32)26(25)27(36-37(33,34)20-14-12-17(2)13-15-20)23(21)10-7-9-22-18(3)8-6-11-24(22)28(30)31/h6-9,11-15H,5,10,16H2,1-4H3,(H,30,31)/b9-7+