3-(hydroxymethyl)-4-phenyl-isochromen-1-one

Systemtic Name: 3-(hydroxymethyl)-4-phenyl-isochromen-1-one Openeye Name: 3-(hydroxymethyl)-4-phenyl-isochromen-1-one CAS Name: 3-(hydroxymethyl)-4-phenyl-2-benzopyran-1-one IUPAC Name: 3-(hydroxymethyl)-4-phenylisochromen-1-one Traditional Name: 3-methylol-4-phenyl-isocoumarin Formula: C16H12O3 MolecularWeight: 252.26468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)CO

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)CO

InChI

InChI=1S/C16H12O3/c17-10-14-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16(18)19-14/h1-9,17H,10H2