methyl 3-[(6-oxidanyl-4-oxidanylidene-2,3-dihydrochromen-3-yl)methyl]benzoate

Systemtic Name: methyl 3-[(6-oxidanyl-4-oxidanylidene-2,3-dihydrochromen-3-yl)methyl]benzoate Openeye Name: methyl 3-[(6-hydroxy-4-oxo-chroman-3-yl)methyl]benzoate CAS Name: 3-[(6-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(6-hydroxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]benzoate Traditional Name: 3-[(6-hydroxy-4-keto-chroman-3-yl)methyl]benzoic acid methyl ester Formula: C18H16O5 MolecularWeight: 312.31664

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CC2COC3=C(C2=O)C=C(C=C3)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CC2COC3=C(C2=O)C=C(C=C3)O

InChI

InChI=1S/C18H16O5/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/h2-7,9,13,19H,8,10H2,1H3