(E)-3-(4-hexadecoxyphenyl)-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-(4-hexadecoxyphenyl)-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-(4-hexadecoxyphenyl)-2-methyl-prop-2-enoic acid CAS Name: (E)-3-(4-hexadecoxyphenyl)-2-methyl-2-propenoic acid IUPAC Name: (E)-3-(4-hexadecoxyphenyl)-2-methylprop-2-enoic acid Traditional Name: (E)-3-(4-cetyloxyphenyl)-2-methyl-acrylic acid Formula: C26H42O3 MolecularWeight: 402.60988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=C(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)/C=C(\C)/C(=O)O

InChI

InChI=1S/C26H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-29-25-19-17-24(18-20-25)22-23(2)26(27)28/h17-20,22H,3-16,21H2,1-2H3,(H,27,28)/b23-22+