3,7-dimethyl-7-(2-oxidanyl-3-pentadecyl-phenyl)octanoic acid

Systemtic Name: 3,7-dimethyl-7-(2-oxidanyl-3-pentadecyl-phenyl)octanoic acid Openeye Name: 7-(2-hydroxy-3-pentadecyl-phenyl)-3,7-dimethyl-octanoic acid CAS Name: 7-(2-hydroxy-3-pentadecylphenyl)-3,7-dimethyloctanoic acid IUPAC Name: 7-(2-hydroxy-3-pentadecylphenyl)-3,7-dimethyloctanoic acid Traditional Name: 7-(2-hydroxy-3-pentadecyl-phenyl)-3,7-dimethyl-caprylic acid Formula: C31H54O3 MolecularWeight: 474.75866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)C(C)(C)CCCC(C)CC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)C(C)(C)CCCC(C)CC(=O)O)O

InChI

InChI=1S/C31H54O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-22-18-23-28(30(27)34)31(3,4)24-19-20-26(2)25-29(32)33/h18,22-23,26,34H,5-17,19-21,24-25H2,1-4H3,(H,32,33)