[(E,4S,5R,6R,7S)-1-iodanyl-5,7-dimethyl-6-oxidanyl-non-1-en-4-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [(E,4S,5R,6R,7S)-1-iodanyl-5,7-dimethyl-6-oxidanyl-non-1-en-4-yl] (E)-3-phenylprop-2-enoate Openeye Name: [(1S,2R,3R,4S)-3-hydroxy-1-[(E)-3-iodoallyl]-2,4-dimethyl-hexyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [(E,4S,5R,6R,7S)-6-hydroxy-1-iodo-5,7-dimethylnon-1-en-4-yl] ester IUPAC Name: [(E,4S,5R,6R,7S)-6-hydroxy-1-iodo-5,7-dimethylnon-1-en-4-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [(E,1S)-1-[(1R,2R,3S)-2-hydroxy-1,3-dimethyl-pentyl]-4-iodo-but-3-enyl] ester Formula: C20H27IO3 MolecularWeight: 442.33105

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(C)C(CC=CI)OC(=O)C=CC1=CC=CC=C1)O

Isomeric SMILES

CC[C@H](C)[C@H]([C@@H](C)[C@H](C/C=C/I)OC(=O)/C=C/C1=CC=CC=C1)O

InChI

InChI=1S/C20H27IO3/c1-4-15(2)20(23)16(3)18(11-8-14-21)24-19(22)13-12-17-9-6-5-7-10-17/h5-10,12-16,18,20,23H,4,11H2,1-3H3/b13-12+,14-8+/t15-,16-,18-,20+/m0/s1