2-benzofuran-1,3-dione; 2-ethylhexan-1-ol; hexanedioic acid; propane-1,2-diol

Systemtic Name: 2-benzofuran-1,3-dione; 2-ethylhexan-1-ol; hexanedioic acid; propane-1,2-diol Openeye Name: adipic acid; 2-ethylhexan-1-ol; isobenzofuran-1,3-dione; propane-1,2-diol CAS Name: 2-ethyl-1-hexanol; hexanedioic acid; isobenzofuran-1,3-dione; propane-1,2-diol IUPAC Name: 2-benzofuran-1,3-dione; 2-ethylhexan-1-ol; hexanedioic acid; propane-1,2-diol Traditional Name: adipic acid; 2-ethylhexan-1-ol; phthalic anhydride; propane-1,2-diol Formula: C25H40O10 MolecularWeight: 500.5791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CO.CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCCC(CC)CO.CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C8H4O3.C8H18O.C6H10O4.C3H8O2/c9-7-5-3-1-2-4-6(5)8(10)11-7;1-3-5-6-8(4-2)7-9;7-5(8)3-1-2-4-6(9)10;1-3(5)2-4/h1-4H;8-9H,3-7H2,1-2H3;1-4H2,(H,7,8)(H,9,10);3-5H,2H2,1H3