ethyl ethanoate; prop-2-enoyl (E)-octadec-9-enoate

Systemtic Name: ethyl ethanoate; prop-2-enoyl (E)-octadec-9-enoate Openeye Name: ethyl acetate; prop-2-enoyl (E)-octadec-9-enoate CAS Name: acetic acid ethyl ester; (E)-9-octadecenoic acid 1-oxoprop-2-enyl ester IUPAC Name: ethyl acetate; prop-2-enoyl (E)-octadec-9-enoate Traditional Name: acetic acid ethyl ester; (E)-octadec-9-enoic acid acryloyl ester Formula: C25H44O5 MolecularWeight: 424.61386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(=O)C=C.CCOC(=O)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(=O)C=C.CCOC(=O)C

InChI

InChI=1S/C21H36O3.C4H8O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)24-20(22)4-2;1-3-6-4(2)5/h4,11-12H,2-3,5-10,13-19H2,1H3;3H2,1-2H3/b12-11+;