(E)-3-(2-chloranyl-6-heptoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(2-chloranyl-6-heptoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(2-chloro-6-heptoxy-phenyl)prop-2-enoic acid CAS Name: (E)-3-(2-chloro-6-heptoxyphenyl)-2-propenoic acid IUPAC Name: (E)-3-(2-chloro-6-heptoxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-(2-chloro-6-heptoxy-phenyl)acrylic acid Formula: C16H21ClO3 MolecularWeight: 296.78914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C(=CC=C1)Cl)C=CC(=O)O

Isomeric SMILES

CCCCCCCOC1=C(C(=CC=C1)Cl)/C=C/C(=O)O

InChI

InChI=1S/C16H21ClO3/c1-2-3-4-5-6-12-20-15-9-7-8-14(17)13(15)10-11-16(18)19/h7-11H,2-6,12H2,1H3,(H,18,19)/b11-10+