2-benzofuran-1,3-dione; hexanedioic acid; 3-(3-oxidanylpropoxy)propan-1-ol

Systemtic Name: 2-benzofuran-1,3-dione; hexanedioic acid; 3-(3-oxidanylpropoxy)propan-1-ol Openeye Name: adipic acid; 3-(3-hydroxypropoxy)propan-1-ol; isobenzofuran-1,3-dione CAS Name: hexanedioic acid; 3-(3-hydroxypropoxy)-1-propanol; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; hexanedioic acid; 3-(3-hydroxypropoxy)propan-1-ol Traditional Name: adipic acid; 3-(3-hydroxypropoxy)propan-1-ol; phthalic anhydride Formula: C20H28O10 MolecularWeight: 428.43032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4O3.C6H10O4.C6H14O3/c9-7-5-3-1-2-4-6(5)8(10)11-7;7-5(8)3-1-2-4-6(9)10;7-3-1-5-9-6-2-4-8/h1-4H;1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2