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

Systemtic Name: methyl 3-[[4,6-bis(oxidanyl)-3,4-dihydro-2H-chromen-2-yl]methyl]benzoate Openeye Name: methyl 3-[(4,6-dihydroxychroman-2-yl)methyl]benzoate CAS Name: 3-[(4,6-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4,6-dihydroxy-3,4-dihydro-2H-chromen-2-yl)methyl]benzoate Traditional Name: 3-[(4,6-dihydroxychroman-2-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)CC2CC(C3=C(O2)C=CC(=C3)O)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CC2CC(C3=C(O2)C=CC(=C3)O)O

InChI

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