octadecyl 3-tert-butyl-4,4-dimethyl-pentanoate

Systemtic Name: octadecyl 3-tert-butyl-4,4-dimethyl-pentanoate Openeye Name: octadecyl 3-tert-butyl-4,4-dimethyl-pentanoate CAS Name: 3-tert-butyl-4,4-dimethylpentanoic acid octadecyl ester IUPAC Name: octadecyl 3-tert-butyl-4,4-dimethylpentanoate Traditional Name: 3-tert-butyl-4,4-dimethyl-valeric acid stearyl ester Formula: C29H58O2 MolecularWeight: 438.76962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CC(C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CC(C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C29H58O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31-27(30)25-26(28(2,3)4)29(5,6)7/h26H,8-25H2,1-7H3