(3-tert-butylphenyl)methyl octadecanoate

Systemtic Name: (3-tert-butylphenyl)methyl octadecanoate Openeye Name: (3-tert-butylphenyl)methyl octadecanoate CAS Name: octadecanoic acid (3-tert-butylphenyl)methyl ester IUPAC Name: (3-tert-butylphenyl)methyl octadecanoate Traditional Name: stearic acid (3-tert-butylbenzyl) ester Formula: C29H50O2 MolecularWeight: 430.7061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(=CC=C1)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(=CC=C1)C(C)(C)C

InChI

InChI=1S/C29H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(30)31-25-26-21-20-22-27(24-26)29(2,3)4/h20-22,24H,5-19,23,25H2,1-4H3