2-benzofuran-1,3-dione; furan-2,5-dione; hexanedioic acid; propane-1,2-diol

Systemtic Name: 2-benzofuran-1,3-dione; furan-2,5-dione; hexanedioic acid; propane-1,2-diol Openeye Name: adipic acid; furan-2,5-dione; isobenzofuran-1,3-dione; propane-1,2-diol CAS Name: furan-2,5-dione; hexanedioic acid; isobenzofuran-1,3-dione; propane-1,2-diol IUPAC Name: 2-benzofuran-1,3-dione; furan-2,5-dione; hexanedioic acid; propane-1,2-diol Traditional Name: adipic acid; furan-2,5-quinone; phthalic anhydride; propane-1,2-diol Formula: C21H24O12 MolecularWeight: 468.40806

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CC(CO)O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=O)OC1=O.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C8H4O3.C6H10O4.C4H2O3.C3H8O2/c9-7-5-3-1-2-4-6(5)8(10)11-7;7-5(8)3-1-2-4-6(9)10;5-3-1-2-4(6)7-3;1-3(5)2-4/h1-4H;1-4H2,(H,7,8)(H,9,10);1-2H;3-5H,2H2,1H3