5-chloranylpentyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: 5-chloranylpentyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: 5-chloropentyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid 5-chloropentyl ester IUPAC Name: 5-chloropentyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dimethoxyphenyl)acrylic acid 5-chloropentyl ester Formula: C16H21ClO4 MolecularWeight: 312.78854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCCCCCCl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCCCCCCl)OC

InChI

InChI=1S/C16H21ClO4/c1-19-14-8-6-13(12-15(14)20-2)7-9-16(18)21-11-5-3-4-10-17/h6-9,12H,3-5,10-11H2,1-2H3/b9-7+