methyl (E)-3-[(3S,5S)-1-iodanyl-5-phenylmethoxy-hexan-3-yl]oxy-2-methyl-prop-2-enoate

Systemtic Name: methyl (E)-3-[(3S,5S)-1-iodanyl-5-phenylmethoxy-hexan-3-yl]oxy-2-methyl-prop-2-enoate Openeye Name: methyl (E)-3-[(1S,3S)-3-benzyloxy-1-(2-iodoethyl)butoxy]-2-methyl-prop-2-enoate CAS Name: (E)-3-[(3S,5S)-1-iodo-5-phenylmethoxyhexan-3-yl]oxy-2-methyl-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[(3S,5S)-1-iodo-5-phenylmethoxyhexan-3-yl]oxy-2-methylprop-2-enoate Traditional Name: (E)-3-[(1S,3S)-3-benzoxy-1-(2-iodoethyl)butoxy]-2-methyl-acrylic acid methyl ester Formula: C18H25IO4 MolecularWeight: 432.29317

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CCI)OC=C(C)C(=O)OC)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](C[C@@H](CCI)O/C=C(\C)/C(=O)OC)OCC1=CC=CC=C1

InChI

InChI=1S/C18H25IO4/c1-14(18(20)21-3)12-23-17(9-10-19)11-15(2)22-13-16-7-5-4-6-8-16/h4-8,12,15,17H,9-11,13H2,1-3H3/b14-12+/t15-,17+/m0/s1