2-benzofuran-1,3-dione; decanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid

Systemtic Name: 2-benzofuran-1,3-dione; decanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid Openeye Name: adipic acid; decanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; isobenzofuran-1,3-dione CAS Name: decanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; isobenzofuran-1,3-dione IUPAC Name: 2-benzofuran-1,3-dione; decanoic acid; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid Traditional Name: adipic acid; capric acid; 2-ethyl-2-methylol-propane-1,3-diol; phthalic anhydride Formula: C30H48O12 MolecularWeight: 600.69492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20O2.C8H4O3.C6H10O4.C6H14O3/c1-2-3-4-5-6-7-8-9-10(11)12;9-7-5-3-1-2-4-6(5)8(10)11-7;7-5(8)3-1-2-4-6(9)10;1-2-6(3-7,4-8)5-9/h2-9H2,1H3,(H,11,12);1-4H;1-4H2,(H,7,8)(H,9,10);7-9H,2-5H2,1H3