3-[4-methoxy-3-[(1S,2R)-3-methyl-1,2-bis(oxidanyl)but-3-enyl]-2-oxidanyl-phenyl]propanoate

Systemtic Name: 3-[4-methoxy-3-[(1S,2R)-3-methyl-1,2-bis(oxidanyl)but-3-enyl]-2-oxidanyl-phenyl]propanoate Openeye Name: 3-[3-[(1S,2R)-1,2-dihydroxy-3-methyl-but-3-enyl]-2-hydroxy-4-methoxy-phenyl]propanoate CAS Name: 3-[3-[(1S,2R)-1,2-dihydroxy-3-methylbut-3-enyl]-2-hydroxy-4-methoxyphenyl]propanoate IUPAC Name: 3-[3-[(1S,2R)-1,2-dihydroxy-3-methylbut-3-enyl]-2-hydroxy-4-methoxyphenyl]propanoate Traditional Name: 3-[3-[(1S,2R)-1,2-dihydroxy-3-methyl-but-3-enyl]-2-hydroxy-4-methoxy-phenyl]propionate Formula: C15H19O6- MolecularWeight: 295.30776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(C1=C(C=CC(=C1O)CCC(=O)[O-])OC)O)O

Isomeric SMILES

CC(=C)[C@H]([C@H](C1=C(C=CC(=C1O)CCC(=O)[O-])OC)O)O

InChI

InChI=1S/C15H20O6/c1-8(2)13(18)15(20)12-10(21-3)6-4-9(14(12)19)5-7-11(16)17/h4,6,13,15,18-20H,1,5,7H2,2-3H3,(H,16,17)/p-1/t13-,15+/m1/s1