[(13E,15E,18Z,20Z)-4-oxidanylidenepentacosa-13,15,18,20-tetraen-11-ynyl] ethanoate

Systemtic Name: [(13E,15E,18Z,20Z)-4-oxidanylidenepentacosa-13,15,18,20-tetraen-11-ynyl] ethanoate Openeye Name: [(13E,15E,18Z,20Z)-4-oxopentacosa-13,15,18,20-tetraen-11-ynyl] acetate CAS Name: acetic acid [(13E,15E,18Z,20Z)-4-oxopentacosa-13,15,18,20-tetraen-11-ynyl] ester IUPAC Name: [(13E,15E,18Z,20Z)-4-oxopentacosa-13,15,18,20-tetraen-11-ynyl] acetate Traditional Name: acetic acid [(13E,15E,18Z,20Z)-4-ketopentacosa-13,15,18,20-tetraen-11-ynyl] ester Formula: C27H40O3 MolecularWeight: 412.6047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC=CCC=CC=CC#CCCCCCCC(=O)CCCOC(=O)C

Isomeric SMILES

CCCC/C=C\C=C/C/C=C/C=C/C#CCCCCCCC(=O)CCCOC(=O)C

InChI

InChI=1S/C27H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27(29)24-22-25-30-26(2)28/h6-9,11-14H,3-5,10,17-25H2,1-2H3/b7-6-,9-8-,12-11+,14-13+