methyl 3-[(2E)-3,7-dimethyl-1-oxidanyl-octa-2,6-dienyl]-2,4-bis(oxidanyl)benzoate

Systemtic Name: methyl 3-[(2E)-3,7-dimethyl-1-oxidanyl-octa-2,6-dienyl]-2,4-bis(oxidanyl)benzoate Openeye Name: methyl 2,4-dihydroxy-3-[(2E)-1-hydroxy-3,7-dimethyl-octa-2,6-dienyl]benzoate CAS Name: 2,4-dihydroxy-3-[(2E)-1-hydroxy-3,7-dimethylocta-2,6-dienyl]benzoic acid methyl ester IUPAC Name: methyl 2,4-dihydroxy-3-[(2E)-1-hydroxy-3,7-dimethylocta-2,6-dienyl]benzoate Traditional Name: 2,4-dihydroxy-3-[(2E)-1-hydroxy-3,7-dimethyl-octa-2,6-dienyl]benzoic acid methyl ester Formula: C18H24O5 MolecularWeight: 320.38016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CC(C1=C(C=CC(=C1O)C(=O)OC)O)O)C)C

Isomeric SMILES

CC(=CCC/C(=C/C(C1=C(C=CC(=C1O)C(=O)OC)O)O)/C)C

InChI

InChI=1S/C18H24O5/c1-11(2)6-5-7-12(3)10-15(20)16-14(19)9-8-13(17(16)21)18(22)23-4/h6,8-10,15,19-21H,5,7H2,1-4H3/b12-10+