4-methylpentyl [(9E,12E)-octadeca-9,12-dienyl] carbonate

Systemtic Name: 4-methylpentyl [(9E,12E)-octadeca-9,12-dienyl] carbonate Openeye Name: isohexyl [(9E,12E)-octadeca-9,12-dienyl] carbonate CAS Name: carbonic acid 4-methylpentyl [(9E,12E)-octadeca-9,12-dienyl] ester IUPAC Name: 4-methylpentyl [(9E,12E)-octadeca-9,12-dienyl] carbonate Traditional Name: carbonic acid isohexyl [(9E,12E)-octadeca-9,12-dienyl] ester Formula: C25H46O3 MolecularWeight: 394.63094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCOC(=O)OCCCC(C)C

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCOC(=O)OCCCC(C)C

InChI

InChI=1S/C25H46O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27-25(26)28-23-20-21-24(2)3/h8-9,11-12,24H,4-7,10,13-23H2,1-3H3/b9-8+,12-11+