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

Systemtic Name: [6-ethyl-5-[(2Z)-2-ethylidenecyclopentyl]-7-methyl-3-oxidanylidene-1H-2-benzofuran-4-yl] 4-methylbenzenesulfonate Openeye Name: [6-ethyl-5-[(2Z)-2-ethylidenecyclopentyl]-7-methyl-3-oxo-1H-isobenzofuran-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-ethyl-5-[(2Z)-2-ethylidenecyclopentyl]-7-methyl-3-oxo-1H-isobenzofuran-4-yl] ester IUPAC Name: [6-ethyl-5-[(2Z)-2-ethylidenecyclopentyl]-7-methyl-3-oxo-1H-2-benzofuran-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-ethyl-5-[(2Z)-2-ethylidenecyclopentyl]-3-keto-7-methyl-phthalan-4-yl] ester Formula: C25H28O5S MolecularWeight: 440.55182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C1C3CCCC3=CC)OS(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC2)C

Isomeric SMILES

CCC1=C(C2=C(C(=C1C\3CCC/C3=C/C)OS(=O)(=O)C4=CC=C(C=C4)C)C(=O)OC2)C

InChI

InChI=1S/C25H28O5S/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/h5,10-13,20H,6-9,14H2,1-4H3/b17-5-