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

Systemtic Name: [(13E,15E,18Z,20Z)-pentacosa-13,15,18,20-tetraen-11-ynyl] ethanoate Openeye Name: [(13E,15E,18Z,20Z)-pentacosa-13,15,18,20-tetraen-11-ynyl] acetate CAS Name: acetic acid [(13E,15E,18Z,20Z)-pentacosa-13,15,18,20-tetraen-11-ynyl] ester IUPAC Name: [(13E,15E,18Z,20Z)-pentacosa-13,15,18,20-tetraen-11-ynyl] acetate Traditional Name: acetic acid [(13E,15E,18Z,20Z)-pentacosa-13,15,18,20-tetraen-11-ynyl] ester Formula: C27H42O2 MolecularWeight: 398.62118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC=CCC=CC=CC#CCCCCCCCCCCOC(=O)C

Isomeric SMILES

CCCC/C=C\C=C/C/C=C/C=C/C#CCCCCCCCCCCOC(=O)C

InChI

InChI=1S/C27H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-27(2)28/h6-9,11-14H,3-5,10,17-26H2,1-2H3/b7-6-,9-8-,12-11+,14-13+