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

Systemtic Name: (3-methylphenyl) 3-tert-butyl-4-oxidanyl-hexadecanoate Openeye Name: m-tolyl 3-tert-butyl-4-hydroxy-hexadecanoate CAS Name: 3-tert-butyl-4-hydroxyhexadecanoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 3-tert-butyl-4-hydroxyhexadecanoate Traditional Name: 3-tert-butyl-4-hydroxy-palmitic acid m-tolyl ester Formula: C27H46O3 MolecularWeight: 418.65234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46O3/c1-6-7-8-9-10-11-12-13-14-15-19-25(28)24(27(3,4)5)21-26(29)30-23-18-16-17-22(2)20-23/h16-18,20,24-25,28H,6-15,19,21H2,1-5H3