propan-2-yl (2E,4E,12E)-13-iodanyl-3,7,11-trimethyl-11-oxidanyl-trideca-2,4,12-trienoate

Systemtic Name: propan-2-yl (2E,4E,12E)-13-iodanyl-3,7,11-trimethyl-11-oxidanyl-trideca-2,4,12-trienoate Openeye Name: isopropyl (2E,4E,12E)-11-hydroxy-13-iodo-3,7,11-trimethyl-trideca-2,4,12-trienoate CAS Name: (2E,4E,12E)-11-hydroxy-13-iodo-3,7,11-trimethyltrideca-2,4,12-trienoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2E,4E,12E)-11-hydroxy-13-iodo-3,7,11-trimethyltrideca-2,4,12-trienoate Traditional Name: (2E,4E,12E)-11-hydroxy-13-iodo-3,7,11-trimethyl-trideca-2,4,12-trienoic acid isopropyl ester Formula: C19H31IO3 MolecularWeight: 434.35211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C=C(C)C=CCC(C)CCCC(C)(C=CI)O

Isomeric SMILES

CC(C)OC(=O)/C=C(\C)/C=C/CC(C)CCCC(C)(/C=C/I)O

InChI

InChI=1S/C19H31IO3/c1-15(2)23-18(21)14-17(4)9-6-8-16(3)10-7-11-19(5,22)12-13-20/h6,9,12-16,22H,7-8,10-11H2,1-5H3/b9-6+,13-12+,17-14+