6,6-bis(3-methyl-4-oxidanyl-phenyl)octanoic acid

Systemtic Name: 6,6-bis(3-methyl-4-oxidanyl-phenyl)octanoic acid Openeye Name: 6,6-bis(4-hydroxy-3-methyl-phenyl)octanoic acid CAS Name: 6,6-bis(4-hydroxy-3-methylphenyl)octanoic acid IUPAC Name: 6,6-bis(4-hydroxy-3-methylphenyl)octanoic acid Traditional Name: 6,6-bis(4-hydroxy-3-methyl-phenyl)caprylic acid Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCC(=O)O)(C1=CC(=C(C=C1)O)C)C2=CC(=C(C=C2)O)C

Isomeric SMILES

CCC(CCCCC(=O)O)(C1=CC(=C(C=C1)O)C)C2=CC(=C(C=C2)O)C

InChI

InChI=1S/C22H28O4/c1-4-22(12-6-5-7-21(25)26,17-8-10-19(23)15(2)13-17)18-9-11-20(24)16(3)14-18/h8-11,13-14,23-24H,4-7,12H2,1-3H3,(H,25,26)