2-methoxy-3-oxidanyl-6-(phenylmethoxymethyl)cyclohepta-2,4,6-trien-1-one hydrate

Systemtic Name: 2-methoxy-3-oxidanyl-6-(phenylmethoxymethyl)cyclohepta-2,4,6-trien-1-one hydrate Openeye Name: 6-(benzyloxymethyl)-3-hydroxy-2-methoxy-cyclohepta-2,4,6-trien-1-one hydrate CAS Name: 3-hydroxy-2-methoxy-6-(phenylmethoxymethyl)-1-cyclohepta-2,4,6-trienone hydrate IUPAC Name: 3-hydroxy-2-methoxy-6-(phenylmethoxymethyl)cyclohepta-2,4,6-trien-1-one hydrate Traditional Name: 6-(benzoxymethyl)-3-hydroxy-2-methoxy-cyclohepta-2,4,6-trien-1-one hydrate Formula: C16H18O5 MolecularWeight: 290.31112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=CC1=O)COCC2=CC=CC=C2)O.O

Isomeric SMILES

COC1=C(C=CC(=CC1=O)COCC2=CC=CC=C2)O.O

InChI

InChI=1S/C16H16O4.H2O/c1-19-16-14(17)8-7-13(9-15(16)18)11-20-10-12-5-3-2-4-6-12;/h2-9,17H,10-11H2,1H3;1H2