2-benzofuran-1,3-dione; 7-ethyl-2,4,4-trimethyl-undecane-3,5-diol; 2-(2-hydroxyethyloxy)ethanol

Systemtic Name: 2-benzofuran-1,3-dione; 7-ethyl-2,4,4-trimethyl-undecane-3,5-diol; 2-(2-hydroxyethyloxy)ethanol Openeye Name: 7-ethyl-2,4,4-trimethyl-undecane-3,5-diol; 2-(2-hydroxyethoxy)ethanol; isobenzofuran-1,3-dione CAS Name: 7-ethyl-2,4,4-trimethylundecane-3,5-diol; 2-(2-hydroxyethoxy)ethanol; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; 7-ethyl-2,4,4-trimethylundecane-3,5-diol; 2-(2-hydroxyethoxy)ethanol Traditional Name: 7-ethyl-2,4,4-trimethyl-undecane-3,5-diol; 2-(2-hydroxyethoxy)ethanol; phthalic anhydride Formula: C28H48O8 MolecularWeight: 512.67592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C(C)(C)C(C(C)C)O)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(COCCO)O

Isomeric SMILES

CCCCC(CC)CC(C(C)(C)C(C(C)C)O)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(COCCO)O

InChI

InChI=1S/C16H34O2.C8H4O3.C4H10O3/c1-7-9-10-13(8-2)11-14(17)16(5,6)15(18)12(3)4;9-7-5-3-1-2-4-6(5)8(10)11-7;5-1-3-7-4-2-6/h12-15,17-18H,7-11H2,1-6H3;1-4H;5-6H,1-4H2