2-(3,4-dihydro-1H-isochromen-1-yl)benzoic acid

Systemtic Name: 2-(3,4-dihydro-1H-isochromen-1-yl)benzoic acid Openeye Name: 2-isochroman-1-ylbenzoic acid CAS Name: 2-(3,4-dihydro-1H-2-benzopyran-1-yl)benzoic acid IUPAC Name: 2-(3,4-dihydro-1H-isochromen-1-yl)benzoic acid Traditional Name: 2-isochroman-1-ylbenzoic acid Formula: C16H14O3 MolecularWeight: 254.28056

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1COC(C2=CC=CC=C21)C3=CC=CC=C3C(=O)O

InChI

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