2-chloranylhexadecyl (E)-3-phenylprop-2-enoate

Systemtic Name: 2-chloranylhexadecyl (E)-3-phenylprop-2-enoate Openeye Name: 2-chlorohexadecyl (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid 2-chlorohexadecyl ester IUPAC Name: 2-chlorohexadecyl (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid 2-chlorohexadecyl ester Formula: C25H39ClO2 MolecularWeight: 407.02896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(COC(=O)C=CC1=CC=CC=C1)Cl

Isomeric SMILES

CCCCCCCCCCCCCCC(COC(=O)/C=C/C1=CC=CC=C1)Cl

InChI

InChI=1S/C25H39ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-24(26)22-28-25(27)21-20-23-17-14-13-15-18-23/h13-15,17-18,20-21,24H,2-12,16,19,22H2,1H3/b21-20+