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

Systemtic Name: 2-[(E)-3-[6-ethenyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxidanylidene-1H-2-benzofuran-5-yl]prop-1-enyl]-3-methyl-benzoate Openeye Name: 3-methyl-2-[(E)-3-[7-methyl-3-oxo-4-(p-tolylsulfonyloxy)-6-vinyl-1H-isobenzofuran-5-yl]prop-1-enyl]benzoate CAS Name: 2-[(E)-3-[6-ethenyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-isobenzofuran-5-yl]prop-1-enyl]-3-methylbenzoate IUPAC Name: 2-[(E)-3-[6-ethenyl-7-methyl-4-(4-methylphenyl)sulfonyloxy-3-oxo-1H-2-benzofuran-5-yl]prop-1-enyl]-3-methylbenzoate Traditional Name: 2-[(E)-3-(3-keto-7-methyl-4-tosyloxy-6-vinyl-phthalan-5-yl)prop-1-enyl]-3-methyl-benzoate Formula: C29H25O7S- MolecularWeight: 517.5696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C3=C2C(=O)OC3)C)C=C)CC=CC4=C(C=CC=C4C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C3=C2C(=O)OC3)C)C=C)C/C=C/C4=C(C=CC=C4C)C(=O)[O-]

InChI

InChI=1S/C29H26O7S/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/h5-9,11-15H,1,10,16H2,2-4H3,(H,30,31)/p-1/b9-7+