methyl 3-[(1S,2R,3aS,8bS)-2-acetyloxy-1-[(Z)-2-bromanyl-3-oxidanylidene-oct-1-enyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]propanoate

Systemtic Name: methyl 3-[(1S,2R,3aS,8bS)-2-acetyloxy-1-[(Z)-2-bromanyl-3-oxidanylidene-oct-1-enyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]propanoate Openeye Name: methyl 3-[(1S,2R,3aS,8bS)-2-acetoxy-1-[(Z)-2-bromo-3-oxo-oct-1-enyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl]propanoate CAS Name: 3-[(1S,2R,3aS,8bS)-2-acetyloxy-1-[(Z)-2-bromo-3-oxooct-1-enyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(1S,2R,3aS,8bS)-2-acetyloxy-1-[(Z)-2-bromo-3-oxooct-1-enyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]propanoate Traditional Name: 3-[(1S,2R,3aS,8bS)-2-acetoxy-1-[(Z)-2-bromo-3-keto-oct-1-enyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl]propionic acid methyl ester Formula: C25H31BrO6 MolecularWeight: 507.41404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(=CC1C(CC2C1C3=C(O2)C(=CC=C3)CCC(=O)OC)OC(=O)C)Br

Isomeric SMILES

CCCCCC(=O)/C(=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C3=C(O2)C(=CC=C3)CCC(=O)OC)OC(=O)C)/Br

InChI

InChI=1S/C25H31BrO6/c1-4-5-6-10-20(28)19(26)13-18-21(31-15(2)27)14-22-24(18)17-9-7-8-16(25(17)32-22)11-12-23(29)30-3/h7-9,13,18,21-22,24H,4-6,10-12,14H2,1-3H3/b19-13-/t18-,21+,22-,24+/m0/s1