4-(3,5-dimethyl-4-oxidanyl-phenyl)carbonyloxy-3-methyl-2-tetracosyl-benzoic acid

Systemtic Name: 4-(3,5-dimethyl-4-oxidanyl-phenyl)carbonyloxy-3-methyl-2-tetracosyl-benzoic acid Openeye Name: 4-(4-hydroxy-3,5-dimethyl-benzoyl)oxy-3-methyl-2-tetracosyl-benzoic acid CAS Name: 4-[(4-hydroxy-3,5-dimethylphenyl)-oxomethoxy]-3-methyl-2-tetracosylbenzoic acid IUPAC Name: 4-(4-hydroxy-3,5-dimethylbenzoyl)oxy-3-methyl-2-tetracosylbenzoic acid Traditional Name: 4-(4-hydroxy-3,5-dimethyl-benzoyl)oxy-2-lignoceryl-3-methyl-benzoic acid Formula: C41H64O5 MolecularWeight: 636.94386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1C)OC(=O)C2=CC(=C(C(=C2)C)O)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCC1=C(C=CC(=C1C)OC(=O)C2=CC(=C(C(=C2)C)O)C)C(=O)O

InChI

InChI=1S/C41H64O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-36-34(4)38(29-28-37(36)40(43)44)46-41(45)35-30-32(2)39(42)33(3)31-35/h28-31,42H,5-27H2,1-4H3,(H,43,44)