(E)-3-(3-iodanyl-4-octadecoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(3-iodanyl-4-octadecoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(3-iodo-4-octadecoxy-phenyl)prop-2-enoic acid CAS Name: (E)-3-(3-iodo-4-octadecoxyphenyl)-2-propenoic acid IUPAC Name: (E)-3-(3-iodo-4-octadecoxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-(3-iodo-4-stearyloxy-phenyl)acrylic acid Formula: C27H43IO3 MolecularWeight: 542.53299

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C=CC(=O)O)I

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)O)I

InChI

InChI=1S/C27H43IO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-26-20-18-24(23-25(26)28)19-21-27(29)30/h18-21,23H,2-17,22H2,1H3,(H,29,30)/b21-19+