ethyl 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,6-bis(oxidanyl)-2-pentyl-benzoate

Systemtic Name: ethyl 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,6-bis(oxidanyl)-2-pentyl-benzoate Openeye Name: ethyl 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,6-dihydroxy-2-pentyl-benzoate CAS Name: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,6-dihydroxy-2-pentylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,6-dihydroxy-2-pentylbenzoate Traditional Name: 2-amyl-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,6-dihydroxy-benzoic acid ethyl ester Formula: C24H36O4 MolecularWeight: 388.54024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=CC(=C1CC=C(C)CCC=C(C)C)O)O)C(=O)OCC

Isomeric SMILES

CCCCCC1=C(C(=CC(=C1C/C=C(\C)/CCC=C(C)C)O)O)C(=O)OCC

InChI

InChI=1S/C24H36O4/c1-6-8-9-13-20-19(15-14-18(5)12-10-11-17(3)4)21(25)16-22(26)23(20)24(27)28-7-2/h11,14,16,25-26H,6-10,12-13,15H2,1-5H3/b18-14+