benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid Openeye Name: dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; isophthalic acid; nonanedioic acid CAS Name: benzene-1,3-dicarboxylic acid; cyclohexane-1,4-dicarboxylic acid dimethyl ester; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid IUPAC Name: benzene-1,3-dicarboxylic acid; dimethyl cyclohexane-1,4-dicarboxylate; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexane-1,6-diol; nonanedioic acid Traditional Name: azelaic acid; cyclohexane-1,4-dicarboxylic acid dimethyl ester; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-methylol-propane-1,3-diol; hexane-1,6-diol; isophthalic acid Formula: C44H78O19 MolecularWeight: 911.07872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)CO.CC(C)(CO)CO.COC(=O)C1CCC(CC1)C(=O)OC.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(CCCO)CCO

Isomeric SMILES

CCC(CO)(CO)CO.CC(C)(CO)CO.COC(=O)C1CCC(CC1)C(=O)OC.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCC(=O)O)CCCC(=O)O.C(CCCO)CCO

InChI

InChI=1S/C10H16O4.C9H16O4.C8H6O4.C6H14O3.C6H14O2.C5H12O2/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;10-8(11)6-4-2-1-3-5-7-9(12)13;9-7(10)5-2-1-3-6(4-5)8(11)12;1-2-6(3-7,4-8)5-9;7-5-3-1-2-4-6-8;1-5(2,3-6)4-7/h7-8H,3-6H2,1-2H3;1-7H2,(H,10,11)(H,12,13);1-4H,(H,9,10)(H,11,12);7-9H,2-5H2,1H3;7-8H,1-6H2;6-7H,3-4H2,1-2H3