3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-bis(oxidanyl)-6-phenethyl-benzoic acid

Systemtic Name: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-bis(oxidanyl)-6-phenethyl-benzoic acid Openeye Name: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-phenethyl-benzoic acid CAS Name: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-phenethylbenzoic acid IUPAC Name: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-phenethylbenzoic acid Traditional Name: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-phenethyl-benzoic acid Formula: C25H30O4 MolecularWeight: 394.5033

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCC1=C(C=C(C(=C1O)C(=O)O)CCC2=CC=CC=C2)O)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC1=C(C=C(C(=C1O)C(=O)O)CCC2=CC=CC=C2)O)/C)C

InChI

InChI=1S/C25H30O4/c1-17(2)8-7-9-18(3)12-15-21-22(26)16-20(23(24(21)27)25(28)29)14-13-19-10-5-4-6-11-19/h4-6,8,10-12,16,26-27H,7,9,13-15H2,1-3H3,(H,28,29)/b18-12+