(3R,4R)-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]-2,4-dihydrochromene-3,4,7-triol

Systemtic Name: (3R,4R)-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]-2,4-dihydrochromene-3,4,7-triol Openeye Name: (3R,4R)-3-[(4-hydroxy-3-methoxy-phenyl)methyl]chromane-3,4,7-triol CAS Name: (3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzopyran-3,4,7-triol IUPAC Name: (3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2,4-dihydrochromene-3,4,7-triol Traditional Name: (3R,4R)-3-vanillylchroman-3,4,7-triol Formula: C17H18O6 MolecularWeight: 318.32122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2(COC3=C(C2O)C=CC(=C3)O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[C@]2(COC3=C([C@H]2O)C=CC(=C3)O)O)O

InChI

InChI=1S/C17H18O6/c1-22-15-6-10(2-5-13(15)19)8-17(21)9-23-14-7-11(18)3-4-12(14)16(17)20/h2-7,16,18-21H,8-9H2,1H3/t16-,17-/m1/s1