tetracosyl 3-[2,6-dimethyl-3-oxidanyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]propanoate

Systemtic Name: tetracosyl 3-[2,6-dimethyl-3-oxidanyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]propanoate Openeye Name: tetracosyl 3-[3-hydroxy-2,6-dimethyl-4-(1,1,3,3-tetramethylbutyl)phenyl]propanoate CAS Name: 3-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]propanoic acid tetracosyl ester IUPAC Name: tetracosyl 3-[3-hydroxy-2,6-dimethyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]propanoate Traditional Name: 3-[3-hydroxy-2,6-dimethyl-4-(1,1,3,3-tetramethylbutyl)phenyl]propionic acid lignoceryl ester Formula: C43H78O3 MolecularWeight: 643.07762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H78O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-33-46-40(44)32-31-38-36(2)34-39(41(45)37(38)3)43(7,8)35-42(4,5)6/h34,45H,9-33,35H2,1-8H3