3,7-dimethyloctyl octadecanoate

Systemtic Name: 3,7-dimethyloctyl octadecanoate Openeye Name: 3,7-dimethyloctyl octadecanoate CAS Name: octadecanoic acid 3,7-dimethyloctyl ester IUPAC Name: 3,7-dimethyloctyl octadecanoate Traditional Name: stearic acid 3,7-dimethyloctyl ester Formula: C28H56O2 MolecularWeight: 424.74304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCC(C)CCCC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCC(C)CCCC(C)C

InChI

InChI=1S/C28H56O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h26-27H,5-25H2,1-4H3