2-benzofuran-1,3-dione; 2-(hydroxymethyl)-2-methyl-propane-1,3-diol; nonanedioic acid; nonanoyl 4-tert-butylbenzoate

Systemtic Name: 2-benzofuran-1,3-dione; 2-(hydroxymethyl)-2-methyl-propane-1,3-diol; nonanedioic acid; nonanoyl 4-tert-butylbenzoate Openeye Name: 2-(hydroxymethyl)-2-methyl-propane-1,3-diol; isobenzofuran-1,3-dione; nonanedioic acid; nonanoyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid 1-oxononyl ester; 2-(hydroxymethyl)-2-methylpropane-1,3-diol; isobenzofuran-1,3-dione; nonanedioic acid IUPAC Name: 2-benzofuran-1,3-dione; 2-(hydroxymethyl)-2-methylpropane-1,3-diol; nonanedioic acid; nonanoyl 4-tert-butylbenzoate Traditional Name: azelaic acid; 4-tert-butylbenzoic acid pelargonyl ester; 2-methyl-2-methylol-propane-1,3-diol; phthalic anhydride Formula: C42H62O13 MolecularWeight: 774.93388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC(=O)C1=CC=C(C=C1)C(C)(C)C.CC(CO)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCC(=O)O)CCCC(=O)O

Isomeric SMILES

CCCCCCCCC(=O)OC(=O)C1=CC=C(C=C1)C(C)(C)C.CC(CO)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C20H30O3.C9H16O4.C8H4O3.C5H12O3/c1-5-6-7-8-9-10-11-18(21)23-19(22)16-12-14-17(15-13-16)20(2,3)4;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;1-5(2-6,3-7)4-8/h12-15H,5-11H2,1-4H3;1-7H2,(H,10,11)(H,12,13);1-4H;6-8H,2-4H2,1H3