[6-ethenyl-5-[(2E)-2-ethylidenecyclopentyl]-7-methyl-3-oxidanylidene-1H-2-benzofuran-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-ethenyl-5-[(2E)-2-ethylidenecyclopentyl]-7-methyl-3-oxidanylidene-1H-2-benzofuran-4-yl] 4-methylbenzenesulfonate Openeye Name: [5-[(2E)-2-ethylidenecyclopentyl]-7-methyl-3-oxo-6-vinyl-1H-isobenzofuran-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-ethenyl-5-[(2E)-2-ethylidenecyclopentyl]-7-methyl-3-oxo-1H-isobenzofuran-4-yl] ester IUPAC Name: [6-ethenyl-5-[(2E)-2-ethylidenecyclopentyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[(2E)-2-ethylidenecyclopentyl]-3-keto-7-methyl-6-vinyl-phthalan-4-yl] ester Formula: C25H26O5S MolecularWeight: 438.53594

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1CCCC1C2=C(C3=C(COC3=O)C(=C2C=C)C)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

C/C=C/1\CCCC1C2=C(C3=C(COC3=O)C(=C2C=C)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H26O5S/c1-5-17-8-7-9-20(17)22-19(6-2)16(4)21-14-29-25(26)23(21)24(22)30-31(27,28)18-12-10-15(3)11-13-18/h5-6,10-13,20H,2,7-9,14H2,1,3-4H3/b17-5+