3-[4-(2-methyloctan-2-yl)-2,6-bis(oxidanyl)phenyl]-4-prop-1-en-2-yl-benzoic acid

Systemtic Name: 3-[4-(2-methyloctan-2-yl)-2,6-bis(oxidanyl)phenyl]-4-prop-1-en-2-yl-benzoic acid Openeye Name: 3-[4-(1,1-dimethylheptyl)-2,6-dihydroxy-phenyl]-4-isopropenyl-benzoic acid CAS Name: 3-[2,6-dihydroxy-4-(2-methyloctan-2-yl)phenyl]-4-(1-methylethenyl)benzoic acid IUPAC Name: 3-[2,6-dihydroxy-4-(2-methyloctan-2-yl)phenyl]-4-prop-1-en-2-ylbenzoic acid Traditional Name: 3-[4-(1,1-dimethylheptyl)-2,6-dihydroxy-phenyl]-4-isopropenyl-benzoic acid Formula: C25H32O4 MolecularWeight: 396.51918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C(=C1)O)C2=C(C=CC(=C2)C(=O)O)C(=C)C)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C(=C1)O)C2=C(C=CC(=C2)C(=O)O)C(=C)C)O

InChI

InChI=1S/C25H32O4/c1-6-7-8-9-12-25(4,5)18-14-21(26)23(22(27)15-18)20-13-17(24(28)29)10-11-19(20)16(2)3/h10-11,13-15,26-27H,2,6-9,12H2,1,3-5H3,(H,28,29)