[(3E)-3-(chloranylmethylidene)-1-benzoxepin-7-yl]methyl hexadecanoate

Systemtic Name: [(3E)-3-(chloranylmethylidene)-1-benzoxepin-7-yl]methyl hexadecanoate Openeye Name: [(3E)-3-(chloromethylene)-1-benzoxepin-7-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [(3E)-3-(chloromethylidene)-1-benzoxepin-7-yl]methyl ester IUPAC Name: [(3E)-3-(chloromethylidene)-1-benzoxepin-7-yl]methyl hexadecanoate Traditional Name: palmitic acid [(3E)-3-(chloromethylene)-1-benzoxepin-7-yl]methyl ester Formula: C28H41ClO3 MolecularWeight: 461.07634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1=CC2=C(C=C1)OCC(=CCl)C=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1=CC2=C(C=C1)OC/C(=C/Cl)/C=C2

InChI

InChI=1S/C28H41ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28(30)32-22-24-17-19-27-26(20-24)18-16-25(21-29)23-31-27/h16-21H,2-15,22-23H2,1H3/b25-21+