(E)-3-(5-chloranyl-2-heptoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(5-chloranyl-2-heptoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(5-chloro-2-heptoxy-phenyl)prop-2-enoic acid CAS Name: (E)-3-(5-chloro-2-heptoxyphenyl)-2-propenoic acid IUPAC Name: (E)-3-(5-chloro-2-heptoxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-(5-chloro-2-heptoxy-phenyl)acrylic acid Formula: C16H21ClO3 MolecularWeight: 296.78914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClO3/c1-2-3-4-5-6-11-20-15-9-8-14(17)12-13(15)7-10-16(18)19/h7-10,12H,2-6,11H2,1H3,(H,18,19)/b10-7+