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

Systemtic Name: (E)-3-(2-hexadecoxyphenyl)prop-2-enoic acid Openeye Name: (E)-3-(2-hexadecoxyphenyl)prop-2-enoic acid CAS Name: (E)-3-(2-hexadecoxyphenyl)-2-propenoic acid IUPAC Name: (E)-3-(2-hexadecoxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-(2-cetyloxyphenyl)acrylic acid Formula: C25H40O3 MolecularWeight: 388.5833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC=C1C=CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-28-24-19-16-15-18-23(24)20-21-25(26)27/h15-16,18-21H,2-14,17,22H2,1H3,(H,26,27)/b21-20+