octadecyl 3-[2,3-dimethyl-4-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoate

Systemtic Name: octadecyl 3-[2,3-dimethyl-4-oxidanyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoate Openeye Name: octadecyl 3-[4-hydroxy-2,3-dimethyl-5-(1,1,3,3-tetramethylbutyl)phenyl]propanoate CAS Name: 3-[4-hydroxy-2,3-dimethyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoic acid octadecyl ester IUPAC Name: octadecyl 3-[4-hydroxy-2,3-dimethyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]propanoate Traditional Name: 3-[4-hydroxy-2,3-dimethyl-5-(1,1,3,3-tetramethylbutyl)phenyl]propionic acid stearyl ester Formula: C37H66O3 MolecularWeight: 558.91814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1C)C)O)C(C)(C)CC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1C)C)O)C(C)(C)CC(C)(C)C

InChI

InChI=1S/C37H66O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-40-34(38)26-25-32-28-33(35(39)31(3)30(32)2)37(7,8)29-36(4,5)6/h28,39H,9-27,29H2,1-8H3