(3-methylphenyl) 3-tert-butyl-4-oxidanyl-octadecanoate

Systemtic Name: (3-methylphenyl) 3-tert-butyl-4-oxidanyl-octadecanoate Openeye Name: m-tolyl 3-tert-butyl-4-hydroxy-octadecanoate CAS Name: 3-tert-butyl-4-hydroxyoctadecanoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 3-tert-butyl-4-hydroxyoctadecanoate Traditional Name: 3-tert-butyl-4-hydroxy-stearic acid m-tolyl ester Formula: C29H50O3 MolecularWeight: 446.7055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(CC(=O)OC1=CC=CC(=C1)C)C(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCC(C(CC(=O)OC1=CC=CC(=C1)C)C(C)(C)C)O

InChI

InChI=1S/C29H50O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-27(30)26(29(3,4)5)23-28(31)32-25-20-18-19-24(2)22-25/h18-20,22,26-27,30H,6-17,21,23H2,1-5H3