2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; heptanoyl 2-butylbenzoate; nonanedioic acid

Systemtic Name: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; heptanoyl 2-butylbenzoate; nonanedioic acid Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; heptanoyl 2-butylbenzoate; isobenzofuran-1,3-dione; nonanedioic acid CAS Name: 2-butylbenzoic acid 1-oxoheptyl ester; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; isobenzofuran-1,3-dione; nonanedioic acid IUPAC Name: 2-benzofuran-1,3-dione; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; heptanoyl 2-butylbenzoate; nonanedioic acid Traditional Name: azelaic acid; 2-butylbenzoic acid enanthyl ester; 2-ethyl-2-methylol-propane-1,3-diol; phthalic anhydride Formula: C41H60O13 MolecularWeight: 760.9073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC(=O)C1=CC=CC=C1CCCC.CCC(CO)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCC(=O)O)CCCC(=O)O

Isomeric SMILES

CCCCCCC(=O)OC(=O)C1=CC=CC=C1CCCC.CCC(CO)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C18H26O3.C9H16O4.C8H4O3.C6H14O3/c1-3-5-7-8-14-17(19)21-18(20)16-13-10-9-12-15(16)11-6-4-2;10-8(11)6-4-2-1-3-5-7-9(12)13;9-7-5-3-1-2-4-6(5)8(10)11-7;1-2-6(3-7,4-8)5-9/h9-10,12-13H,3-8,11,14H2,1-2H3;1-7H2,(H,10,11)(H,12,13);1-4H;7-9H,2-5H2,1H3