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

Systemtic Name: 3-[(2E,4R)-3,7-dimethyl-4-oxidanyl-octa-2,6-dienyl]-4-methoxy-5-[(E)-3-methyl-4-oxidanyl-but-2-enyl]benzoate Openeye Name: 3-[(2E,4R)-4-hydroxy-3,7-dimethyl-octa-2,6-dienyl]-5-[(E)-4-hydroxy-3-methyl-but-2-enyl]-4-methoxy-benzoate CAS Name: 3-[(2E,4R)-4-hydroxy-3,7-dimethylocta-2,6-dienyl]-5-[(E)-4-hydroxy-3-methylbut-2-enyl]-4-methoxybenzoate IUPAC Name: 3-[(2E,4R)-4-hydroxy-3,7-dimethylocta-2,6-dienyl]-5-[(E)-4-hydroxy-3-methylbut-2-enyl]-4-methoxybenzoate Traditional Name: 3-[(2E,4R)-4-hydroxy-3,7-dimethyl-octa-2,6-dienyl]-5-[(E)-4-hydroxy-3-methyl-but-2-enyl]-4-methoxy-benzoate Formula: C23H31O5- MolecularWeight: 387.48924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(C(=CCC1=CC(=CC(=C1OC)CC=C(C)CO)C(=O)[O-])C)O)C

Isomeric SMILES

CC(=CC[C@H](/C(=C/CC1=CC(=CC(=C1OC)C/C=C(\C)/CO)C(=O)[O-])/C)O)C

InChI

InChI=1S/C23H32O5/c1-15(2)6-11-21(25)17(4)8-10-19-13-20(23(26)27)12-18(22(19)28-5)9-7-16(3)14-24/h6-8,12-13,21,24-25H,9-11,14H2,1-5H3,(H,26,27)/p-1/b16-7+,17-8+/t21-/m1/s1