4-methoxy-3-[(2R)-3-methyl-2-oxidanyl-but-3-enyl]-2-oxidanyl-6-phenethyl-benzoate

Systemtic Name: 4-methoxy-3-[(2R)-3-methyl-2-oxidanyl-but-3-enyl]-2-oxidanyl-6-phenethyl-benzoate Openeye Name: 2-hydroxy-3-[(2R)-2-hydroxy-3-methyl-but-3-enyl]-4-methoxy-6-phenethyl-benzoate CAS Name: 2-hydroxy-3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-4-methoxy-6-phenethylbenzoate IUPAC Name: 2-hydroxy-3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-4-methoxy-6-phenethylbenzoate Traditional Name: 2-hydroxy-3-[(2R)-2-hydroxy-3-methyl-but-3-enyl]-4-methoxy-6-phenethyl-benzoate Formula: C21H23O5- MolecularWeight: 355.40432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(CC1=C(C=C(C(=C1O)C(=O)[O-])CCC2=CC=CC=C2)OC)O

Isomeric SMILES

CC(=C)[C@@H](CC1=C(C=C(C(=C1O)C(=O)[O-])CCC2=CC=CC=C2)OC)O

InChI

InChI=1S/C21H24O5/c1-13(2)17(22)12-16-18(26-3)11-15(19(20(16)23)21(24)25)10-9-14-7-5-4-6-8-14/h4-8,11,17,22-23H,1,9-10,12H2,2-3H3,(H,24,25)/p-1/t17-/m1/s1