(E)-6-(4-octadecoxyphenyl)hex-5-enoic acid

Systemtic Name: (E)-6-(4-octadecoxyphenyl)hex-5-enoic acid Openeye Name: (E)-6-(4-octadecoxyphenyl)hex-5-enoic acid CAS Name: (E)-6-(4-octadecoxyphenyl)-5-hexenoic acid IUPAC Name: (E)-6-(4-octadecoxyphenyl)hex-5-enoic acid Traditional Name: (E)-6-(4-stearyloxyphenyl)hex-5-enoic acid Formula: C30H50O3 MolecularWeight: 458.7162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)/C=C/CCCC(=O)O

InChI

InChI=1S/C30H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-33-29-25-23-28(24-26-29)21-18-17-19-22-30(31)32/h18,21,23-26H,2-17,19-20,22,27H2,1H3,(H,31,32)/b21-18+