2-methylpropyl 3-octyltridecanoate

Systemtic Name: 2-methylpropyl 3-octyltridecanoate Openeye Name: isobutyl 3-octyltridecanoate CAS Name: 3-octyltridecanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-octyltridecanoate Traditional Name: 3-octyltridecanoic acid isobutyl ester Formula: C25H50O2 MolecularWeight: 382.6633

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)CC(=O)OCC(C)C

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)CC(=O)OCC(C)C

InChI

InChI=1S/C25H50O2/c1-5-7-9-11-13-14-16-18-20-24(19-17-15-12-10-8-6-2)21-25(26)27-22-23(3)4/h23-24H,5-22H2,1-4H3