2-benzofuran-1,3-dione; ethane-1,2-diol; hexanedioic acid; 6-methylheptan-1-ol; 8-methylnonan-1-ol

Systemtic Name: 2-benzofuran-1,3-dione; ethane-1,2-diol; hexanedioic acid; 6-methylheptan-1-ol; 8-methylnonan-1-ol Openeye Name: adipic acid; ethylene glycol; isobenzofuran-1,3-dione; 6-methylheptan-1-ol; 8-methylnonan-1-ol CAS Name: ethane-1,2-diol; hexanedioic acid; isobenzofuran-1,3-dione; 6-methyl-1-heptanol; 8-methyl-1-nonanol IUPAC Name: 2-benzofuran-1,3-dione; ethane-1,2-diol; hexanedioic acid; 6-methylheptan-1-ol; 8-methylnonan-1-ol Traditional Name: adipic acid; ethylene glycol; 6-methylheptan-1-ol; 8-methylnonan-1-ol; phthalic anhydride Formula: C34H60O11 MolecularWeight: 644.8336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H22O.C8H4O3.C8H18O.C6H10O4.C2H6O2/c1-10(2)8-6-4-3-5-7-9-11;9-7-5-3-1-2-4-6(5)8(10)11-7;1-8(2)6-4-3-5-7-9;7-5(8)3-1-2-4-6(9)10;3-1-2-4/h10-11H,3-9H2,1-2H3;1-4H;8-9H,3-7H2,1-2H3;1-4H2,(H,7,8)(H,9,10);3-4H,1-2H2