2-benzofuran-1,3-dione; hexane-1,6-diol; 2,2,4-trimethylpentane-1,3-diol

Systemtic Name: 2-benzofuran-1,3-dione; hexane-1,6-diol; 2,2,4-trimethylpentane-1,3-diol Openeye Name: hexane-1,6-diol; isobenzofuran-1,3-dione; 2,2,4-trimethylpentane-1,3-diol CAS Name: hexane-1,6-diol; isobenzofuran-1,3-dione; 2,2,4-trimethylpentane-1,3-diol IUPAC Name: 2-benzofuran-1,3-dione; hexane-1,6-diol; 2,2,4-trimethylpentane-1,3-diol Traditional Name: hexane-1,6-diol; phthalic anhydride; 2,2,4-trimethylpentane-1,3-diol Formula: C22H36O7 MolecularWeight: 412.51704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)(C)CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCO)CCO

Isomeric SMILES

CC(C)C(C(C)(C)CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCO)CCO

InChI

InChI=1S/C8H4O3.C8H18O2.C6H14O2/c9-7-5-3-1-2-4-6(5)8(10)11-7;1-6(2)7(10)8(3,4)5-9;7-5-3-1-2-4-6-8/h1-4H;6-7,9-10H,5H2,1-4H3;7-8H,1-6H2