methyl 2-[(3S,3aR,4R,6S,7S,7aR)-6-ethyl-6-(iodanylmethyl)-3-methyl-4-oxidanyl-2-oxidanylidene-3,3a,4,5,7,7a-hexahydro-1-benzofuran-7-yl]prop-2-enoate

Systemtic Name: methyl 2-[(3S,3aR,4R,6S,7S,7aR)-6-ethyl-6-(iodanylmethyl)-3-methyl-4-oxidanyl-2-oxidanylidene-3,3a,4,5,7,7a-hexahydro-1-benzofuran-7-yl]prop-2-enoate Openeye Name: methyl 2-[(3S,3aR,4R,6S,7S,7aR)-6-ethyl-4-hydroxy-6-(iodomethyl)-3-methyl-2-oxo-3,3a,4,5,7,7a-hexahydrobenzofuran-7-yl]prop-2-enoate CAS Name: 2-[(3S,3aR,4R,6S,7S,7aR)-6-ethyl-4-hydroxy-6-(iodomethyl)-3-methyl-2-oxo-3,3a,4,5,7,7a-hexahydrobenzofuran-7-yl]-2-propenoic acid methyl ester IUPAC Name: methyl 2-[(3S,3aR,4R,6S,7S,7aR)-6-ethyl-4-hydroxy-6-(iodomethyl)-3-methyl-2-oxo-3,3a,4,5,7,7a-hexahydro-1-benzofuran-7-yl]prop-2-enoate Traditional Name: 2-[(3S,3aR,4R,6S,7S,7aR)-6-ethyl-4-hydroxy-6-(iodomethyl)-2-keto-3-methyl-3,3a,4,5,7,7a-hexahydrobenzofuran-7-yl]acrylic acid methyl ester Formula: C16H23IO5 MolecularWeight: 422.25529

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(C2C(C(=O)OC2C1C(=C)C(=O)OC)C)O)CI

Isomeric SMILES

CC[C@@]1(C[C@H]([C@H]2[C@@H](C(=O)O[C@@H]2[C@H]1C(=C)C(=O)OC)C)O)CI

InChI

InChI=1S/C16H23IO5/c1-5-16(7-17)6-10(18)11-8(2)15(20)22-13(11)12(16)9(3)14(19)21-4/h8,10-13,18H,3,5-7H2,1-2,4H3/t8-,10+,11+,12+,13-,16+/m0/s1