3-[(2E,4S)-3,7-dimethyl-4-oxidanyl-octa-2,6-dienyl]-5-[(E)-3-methyl-4-oxidanyl-but-2-enyl]-4-oxidanyl-benzoate

Systemtic Name: 3-[(2E,4S)-3,7-dimethyl-4-oxidanyl-octa-2,6-dienyl]-5-[(E)-3-methyl-4-oxidanyl-but-2-enyl]-4-oxidanyl-benzoate Openeye Name: 4-hydroxy-3-[(2E,4S)-4-hydroxy-3,7-dimethyl-octa-2,6-dienyl]-5-[(E)-4-hydroxy-3-methyl-but-2-enyl]benzoate CAS Name: 4-hydroxy-3-[(2E,4S)-4-hydroxy-3,7-dimethylocta-2,6-dienyl]-5-[(E)-4-hydroxy-3-methylbut-2-enyl]benzoate IUPAC Name: 4-hydroxy-3-[(2E,4S)-4-hydroxy-3,7-dimethylocta-2,6-dienyl]-5-[(E)-4-hydroxy-3-methylbut-2-enyl]benzoate Traditional Name: 4-hydroxy-3-[(2E,4S)-4-hydroxy-3,7-dimethyl-octa-2,6-dienyl]-5-[(E)-4-hydroxy-3-methyl-but-2-enyl]benzoate Formula: C22H29O5- MolecularWeight: 373.46266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(C(=CCC1=CC(=CC(=C1O)CC=C(C)CO)C(=O)[O-])C)O)C

Isomeric SMILES

CC(=CC[C@@H](/C(=C/CC1=CC(=CC(=C1O)C/C=C(\C)/CO)C(=O)[O-])/C)O)C

InChI

InChI=1S/C22H30O5/c1-14(2)5-10-20(24)16(4)7-9-18-12-19(22(26)27)11-17(21(18)25)8-6-15(3)13-23/h5-7,11-12,20,23-25H,8-10,13H2,1-4H3,(H,26,27)/p-1/b15-6+,16-7+/t20-/m0/s1