2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; 7-methyloctanoic acid

Systemtic Name: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; 7-methyloctanoic acid Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; isobenzofuran-1,3-dione; 7-methyloctanoic acid CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; isobenzofuran-1,3-dione; 7-methyloctanoic acid IUPAC Name: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; furan-2,5-dione; 7-methyloctanoic acid Traditional Name: 2-ethyl-2-methylol-propane-1,3-diol; furan-2,5-quinone; 7-methylcaprylic acid; phthalic anhydride Formula: C27H38O11 MolecularWeight: 538.58402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O2.C8H4O3.C6H14O3.C4H2O3/c1-8(2)6-4-3-5-7-9(10)11;9-7-5-3-1-2-4-6(5)8(10)11-7;1-2-6(3-7,4-8)5-9;5-3-1-2-4(6)7-3/h8H,3-7H2,1-2H3,(H,10,11);1-4H;7-9H,2-5H2,1H3;1-2H