(3S)-3-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[2-(2,5-dimethylphenyl)-2-keto-ethyl]phthalide Formula: C18H16O3 MolecularWeight: 280.31784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CC2C3=CC=CC=C3C(=O)O2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C[C@H]2C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C18H16O3/c1-11-7-8-12(2)15(9-11)16(19)10-17-13-5-3-4-6-14(13)18(20)21-17/h3-9,17H,10H2,1-2H3/t17-/m0/s1