O4-(3-oxidanylidene-1H-2-benzofuran-1-yl) O1-(phenylmethyl) 2,2,3-trimethylbutanedioate

Systemtic Name: O4-(3-oxidanylidene-1H-2-benzofuran-1-yl) O1-(phenylmethyl) 2,2,3-trimethylbutanedioate Openeye Name: O1-benzyl O4-(3-oxo-1H-isobenzofuran-1-yl) 2,2,3-trimethylbutanedioate CAS Name: 2,2,3-trimethylbutanedioic acid O4-(3-oxo-1H-isobenzofuran-1-yl) ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-(3-oxo-1H-2-benzofuran-1-yl) 2,2,3-trimethylbutanedioate Traditional Name: 2,2,3-trimethylsuccinic acid O1-benzyl ester O4-phthalidyl ester Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1C2=CC=CC=C2C(=O)O1)C(C)(C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OC1C2=CC=CC=C2C(=O)O1)C(C)(C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22O6/c1-14(22(2,3)21(25)26-13-15-9-5-4-6-10-15)18(23)27-20-17-12-8-7-11-16(17)19(24)28-20/h4-12,14,20H,13H2,1-3H3