(3R,6S)-6-[(2S,3E,5E)-6-iodanyl-2-methoxy-3-methyl-hexa-3,5-dienyl]-3-methyl-oxan-2-one

Systemtic Name: (3R,6S)-6-[(2S,3E,5E)-6-iodanyl-2-methoxy-3-methyl-hexa-3,5-dienyl]-3-methyl-oxan-2-one Openeye Name: (3R,6S)-6-[(2S,3E,5E)-6-iodo-2-methoxy-3-methyl-hexa-3,5-dienyl]-3-methyl-tetrahydropyran-2-one CAS Name: (3R,6S)-6-[(2S,3E,5E)-6-iodo-2-methoxy-3-methylhexa-3,5-dienyl]-3-methyl-2-oxanone IUPAC Name: (3R,6S)-6-[(2S,3E,5E)-6-iodo-2-methoxy-3-methylhexa-3,5-dienyl]-3-methyloxan-2-one Traditional Name: (3R,6S)-6-[(2S,3E,5E)-6-iodo-2-methoxy-3-methyl-hexa-3,5-dienyl]-3-methyl-tetrahydropyran-2-one Formula: C14H21IO3 MolecularWeight: 364.21921

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(OC1=O)CC(C(=CC=CI)C)OC

Isomeric SMILES

C[C@@H]1CC[C@H](OC1=O)C[C@@H](/C(=C/C=C/I)/C)OC

InChI

InChI=1S/C14H21IO3/c1-10(5-4-8-15)13(17-3)9-12-7-6-11(2)14(16)18-12/h4-5,8,11-13H,6-7,9H2,1-3H3/b8-4+,10-5+/t11-,12+,13+/m1/s1