(3Z)-6-methyl-3-(phenylmethylidene)-2-benzofuran-1-one

Systemtic Name: (3Z)-6-methyl-3-(phenylmethylidene)-2-benzofuran-1-one Openeye Name: (3Z)-3-benzylidene-6-methyl-isobenzofuran-1-one CAS Name: (3Z)-6-methyl-3-(phenylmethylene)-1-isobenzofuranone IUPAC Name: (3Z)-3-benzylidene-6-methyl-2-benzofuran-1-one Traditional Name: (3Z)-3-benzal-6-methyl-phthalide Formula: C16H12O2 MolecularWeight: 236.26528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC3=CC=CC=C3)OC2=O

Isomeric SMILES

CC1=CC2=C(C=C1)/C(=C/C3=CC=CC=C3)/OC2=O

InChI

InChI=1S/C16H12O2/c1-11-7-8-13-14(9-11)16(17)18-15(13)10-12-5-3-2-4-6-12/h2-10H,1H3/b15-10-