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pentyl (E)-hexadec-12-enoate

pentyl (E)-hexadec-12-enoate

Systemtic Name:pentyl (E)-hexadec-12-enoate
Openeye Name:pentyl (E)-hexadec-12-enoate
CAS Name:(E)-12-hexadecenoic acid pentyl ester
IUPAC Name:pentyl (E)-hexadec-12-enoate
Traditional Name:(E)-hexadec-12-enoic acid amyl ester
Formula: C21H40O2
MolecularWeight: 324.5411
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CCCCCCCCCCC=CCCC


Isomeric SMILES

CCCCCOC(=O)CCCCCCCCCC/C=C/CCC


InChI

InChI=1S/C21H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21(22)23-20-18-6-4-2/h7-8H,3-6,9-20H2,1-2H3/b8-7+


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