[(1R,2S)-4-(acetyloxymethyl)-2-methyl-1-[(2R,3S)-3-[(2S)-pentan-2-yl]oxiran-2-yl]pent-4-enyl] (E)-3-iodanylbut-2-enoate

Systemtic Name: [(1R,2S)-4-(acetyloxymethyl)-2-methyl-1-[(2R,3S)-3-[(2S)-pentan-2-yl]oxiran-2-yl]pent-4-enyl] (E)-3-iodanylbut-2-enoate Openeye Name: [(1R,2S)-4-(acetoxymethyl)-2-methyl-1-[(2R,3S)-3-[(1S)-1-methylbutyl]oxiran-2-yl]pent-4-enyl] (E)-3-iodobut-2-enoate CAS Name: (E)-3-iodo-2-butenoic acid [(1R,2S)-4-(acetyloxymethyl)-2-methyl-1-[(2R,3S)-3-[(2S)-pentan-2-yl]-2-oxiranyl]pent-4-enyl] ester IUPAC Name: [(1R,2S)-4-(acetyloxymethyl)-2-methyl-1-[(2R,3S)-3-[(2S)-pentan-2-yl]oxiran-2-yl]pent-4-enyl] (E)-3-iodobut-2-enoate Traditional Name: (E)-3-iodobut-2-enoic acid [(1R,2S)-4-(acetoxymethyl)-2-methyl-1-[(2R,3S)-3-[(1S)-1-methylbutyl]oxiran-2-yl]pent-4-enyl] ester Formula: C20H31IO5 MolecularWeight: 478.36161

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1C(O1)C(C(C)CC(=C)COC(=O)C)OC(=O)C=C(C)I

Isomeric SMILES

CCC[C@H](C)[C@H]1[C@@H](O1)[C@@H]([C@@H](C)CC(=C)COC(=O)C)OC(=O)/C=C(\C)/I

InChI

InChI=1S/C20H31IO5/c1-7-8-13(3)18-20(26-18)19(25-17(23)10-15(5)21)14(4)9-12(2)11-24-16(6)22/h10,13-14,18-20H,2,7-9,11H2,1,3-6H3/b15-10+/t13-,14-,18-,19+,20+/m0/s1