[(1S)-1-[(1R,2R)-2-[(E,1R,4R)-1,4-diacetyloxynon-2-enyl]cyclopropyl]but-3-enyl] hex-5-enoate

Systemtic Name: [(1S)-1-[(1R,2R)-2-[(E,1R,4R)-1,4-diacetyloxynon-2-enyl]cyclopropyl]but-3-enyl] hex-5-enoate Openeye Name: [(1S)-1-[(1R,2R)-2-[(E,1R,4R)-1,4-diacetoxynon-2-enyl]cyclopropyl]but-3-enyl] hex-5-enoate CAS Name: 5-hexenoic acid [(1S)-1-[(1R,2R)-2-[(E,1R,4R)-1,4-diacetyloxynon-2-enyl]cyclopropyl]but-3-enyl] ester IUPAC Name: [(1S)-1-[(1R,2R)-2-[(E,1R,4R)-1,4-diacetyloxynon-2-enyl]cyclopropyl]but-3-enyl] hex-5-enoate Traditional Name: hex-5-enoic acid [(1S)-1-[(1R,2R)-2-[(E,1R,4R)-1,4-diacetoxynon-2-enyl]cyclopropyl]but-3-enyl] ester Formula: C26H40O6 MolecularWeight: 448.5922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC(C1CC1C(CC=C)OC(=O)CCCC=C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCC[C@H](/C=C/[C@H]([C@@H]1C[C@H]1[C@H](CC=C)OC(=O)CCCC=C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C26H40O6/c1-6-9-11-14-21(30-19(4)27)16-17-25(31-20(5)28)23-18-22(23)24(13-8-3)32-26(29)15-12-10-7-2/h7-8,16-17,21-25H,2-3,6,9-15,18H2,1,4-5H3/b17-16+/t21-,22-,23-,24+,25-/m1/s1