(7-chloranyl-3a-methyl-3-oxidanylidene-1,4,5,6,7,7a-hexahydro-2-benzofuran-4-yl) ethanoate

Systemtic Name: (7-chloranyl-3a-methyl-3-oxidanylidene-1,4,5,6,7,7a-hexahydro-2-benzofuran-4-yl) ethanoate Openeye Name: (7-chloro-3a-methyl-3-oxo-1,4,5,6,7,7a-hexahydroisobenzofuran-4-yl) acetate CAS Name: acetic acid (7-chloro-3a-methyl-3-oxo-1,4,5,6,7,7a-hexahydroisobenzofuran-4-yl) ester IUPAC Name: (7-chloro-3a-methyl-3-oxo-1,4,5,6,7,7a-hexahydro-2-benzofuran-4-yl) acetate Traditional Name: acetic acid (7-chloro-3-keto-3a-methyl-1,4,5,6,7,7a-hexahydroisobenzofuran-4-yl) ester Formula: C11H15ClO4 MolecularWeight: 246.6874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(C2C1(C(=O)OC2)C)Cl

Isomeric SMILES

CC(=O)OC1CCC(C2C1(C(=O)OC2)C)Cl

InChI

InChI=1S/C11H15ClO4/c1-6(13)16-9-4-3-8(12)7-5-15-10(14)11(7,9)2/h7-9H,3-5H2,1-2H3