[4-[bis(oxidanyl)methyl]-5-(iodanylmethyl)-5-oxidanyl-3-prop-1-en-2-yl-cyclopent-2-en-1-yl] 3-methylpentanoate

Systemtic Name: [4-[bis(oxidanyl)methyl]-5-(iodanylmethyl)-5-oxidanyl-3-prop-1-en-2-yl-cyclopent-2-en-1-yl] 3-methylpentanoate Openeye Name: [4-(dihydroxymethyl)-5-hydroxy-5-(iodomethyl)-3-isopropenyl-cyclopent-2-en-1-yl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [4-(dihydroxymethyl)-5-hydroxy-5-(iodomethyl)-3-(1-methylethenyl)-1-cyclopent-2-enyl] ester IUPAC Name: [4-(dihydroxymethyl)-5-hydroxy-5-(iodomethyl)-3-prop-1-en-2-ylcyclopent-2-en-1-yl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [4-(dihydroxymethyl)-5-hydroxy-5-(iodomethyl)-3-isopropenyl-cyclopent-2-en-1-yl] ester Formula: C16H25IO5 MolecularWeight: 424.27117

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)OC1C=C(C(C1(CI)O)C(O)O)C(=C)C

Isomeric SMILES

CCC(C)CC(=O)OC1C=C(C(C1(CI)O)C(O)O)C(=C)C

InChI

InChI=1S/C16H25IO5/c1-5-10(4)6-13(18)22-12-7-11(9(2)3)14(15(19)20)16(12,21)8-17/h7,10,12,14-15,19-21H,2,5-6,8H2,1,3-4H3