[4-(hydroxymethyl)-7-(iodanylmethyl)-1-methoxy-7-oxidanyl-6,7a-dihydro-1H-cyclopenta[c]pyran-6-yl] 3-methylpentanoate

Systemtic Name: [4-(hydroxymethyl)-7-(iodanylmethyl)-1-methoxy-7-oxidanyl-6,7a-dihydro-1H-cyclopenta[c]pyran-6-yl] 3-methylpentanoate Openeye Name: [7-hydroxy-4-(hydroxymethyl)-7-(iodomethyl)-1-methoxy-6,7a-dihydro-1H-cyclopenta[c]pyran-6-yl] 3-methylpentanoate CAS Name: 3-methylpentanoic acid [7-hydroxy-4-(hydroxymethyl)-7-(iodomethyl)-1-methoxy-6,7a-dihydro-1H-cyclopenta[c]pyran-6-yl] ester IUPAC Name: [7-hydroxy-4-(hydroxymethyl)-7-(iodomethyl)-1-methoxy-6,7a-dihydro-1H-cyclopenta[c]pyran-6-yl] 3-methylpentanoate Traditional Name: 3-methylvaleric acid [7-hydroxy-7-(iodomethyl)-1-methoxy-4-methylol-6,7a-dihydro-1H-cyclopenta[c]pyran-6-yl] ester Formula: C17H25IO6 MolecularWeight: 452.28127

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)OC1C=C2C(C1(CI)O)C(OC=C2CO)OC

Isomeric SMILES

CCC(C)CC(=O)OC1C=C2C(C1(CI)O)C(OC=C2CO)OC

InChI

InChI=1S/C17H25IO6/c1-4-10(2)5-14(20)24-13-6-12-11(7-19)8-23-16(22-3)15(12)17(13,21)9-18/h6,8,10,13,15-16,19,21H,4-5,7,9H2,1-3H3