dimethyl (5S,6S)-1-hex-5-enoyl-4,5,6,7-tetrahydro-2-benzofuran-5,6-dicarboxylate

Systemtic Name: dimethyl (5S,6S)-1-hex-5-enoyl-4,5,6,7-tetrahydro-2-benzofuran-5,6-dicarboxylate Openeye Name: dimethyl (5S,6S)-1-hex-5-enoyl-4,5,6,7-tetrahydroisobenzofuran-5,6-dicarboxylate CAS Name: (5S,6S)-1-(1-oxohex-5-enyl)-4,5,6,7-tetrahydroisobenzofuran-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (5S,6S)-1-hex-5-enoyl-4,5,6,7-tetrahydro-2-benzofuran-5,6-dicarboxylate Traditional Name: (5S,6S)-1-hex-5-enoyl-4,5,6,7-tetrahydroisobenzofuran-5,6-dicarboxylic acid dimethyl ester Formula: C18H22O6 MolecularWeight: 334.36368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=COC(=C2CC1C(=O)OC)C(=O)CCCC=C

Isomeric SMILES

COC(=O)[C@H]1CC2=COC(=C2C[C@@H]1C(=O)OC)C(=O)CCCC=C

InChI

InChI=1S/C18H22O6/c1-4-5-6-7-15(19)16-12-9-14(18(21)23-3)13(17(20)22-2)8-11(12)10-24-16/h4,10,13-14H,1,5-9H2,2-3H3/t13-,14-/m0/s1