methyl 3-[[4,6-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4,6-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl]methyl]benzoate Openeye Name: methyl 3-[(4,6-dihydroxychroman-3-yl)methyl]benzoate CAS Name: 3-[(4,6-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4,6-dihydroxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzoate Traditional Name: 3-[(4,6-dihydroxychroman-3-yl)methyl]benzoic acid methyl ester Formula: C18H18O5 MolecularWeight: 314.33252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CC2COC3=C(C2O)C=C(C=C3)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CC2COC3=C(C2O)C=C(C=C3)O

InChI

InChI=1S/C18H18O5/c1-22-18(21)12-4-2-3-11(7-12)8-13-10-23-16-6-5-14(19)9-15(16)17(13)20/h2-7,9,13,17,19-20H,8,10H2,1H3