phenyl 3-octyltridecanoate

Systemtic Name: phenyl 3-octyltridecanoate Openeye Name: phenyl 3-octyltridecanoate CAS Name: 3-octyltridecanoic acid phenyl ester IUPAC Name: phenyl 3-octyltridecanoate Traditional Name: 3-octyltridecanoic acid phenyl ester Formula: C27H46O2 MolecularWeight: 402.65294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)CC(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)CC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C27H46O2/c1-3-5-7-9-11-12-14-17-21-25(20-16-13-10-8-6-4-2)24-27(28)29-26-22-18-15-19-23-26/h15,18-19,22-23,25H,3-14,16-17,20-21,24H2,1-2H3