3-(3,4-dihydro-1H-isochromen-1-yl)-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-(3,4-dihydro-1H-isochromen-1-yl)-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-hydroxy-3-isochroman-1-yl-cyclohepta-2,4,6-trien-1-one CAS Name: 3-(3,4-dihydro-1H-2-benzopyran-1-yl)-2-hydroxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-(3,4-dihydro-1H-isochromen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one Traditional Name: 2-hydroxy-3-isochroman-1-yl-cyclohepta-2,4,6-trien-1-one Formula: C16H14O3 MolecularWeight: 254.28056

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)C3=C(C(=O)C=CC=C3)O

Isomeric SMILES

C1COC(C2=CC=CC=C21)C3=C(C(=O)C=CC=C3)O

InChI

InChI=1S/C16H14O3/c17-14-8-4-3-7-13(15(14)18)16-12-6-2-1-5-11(12)9-10-19-16/h1-8,16H,9-10H2,(H,17,18)