benzene-1,3-dicarboxylic acid; 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; 2,2-dimethylpropane-1,3-diol; tridecane

Systemtic Name: benzene-1,3-dicarboxylic acid; 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; 2,2-dimethylpropane-1,3-diol; tridecane Openeye Name: 2,2-dimethylpropane-1,3-diol; 1,3-dioxoisobenzofuran-5-carboxylic acid; isophthalic acid; tridecane CAS Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-5-isobenzofurancarboxylic acid; tridecane IUPAC Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-2-benzofuran-5-carboxylic acid; tridecane Traditional Name: 2,2-dimethylpropane-1,3-diol; isophthalic acid; tridecane; trimellitic anhydride Formula: C35H50O11 MolecularWeight: 646.7649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC.CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O

Isomeric SMILES

CCCCCCCCCCCCC.CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O

InChI

InChI=1S/C13H28.C9H4O5.C8H6O4.C5H12O2/c1-3-5-7-9-11-13-12-10-8-6-4-2;10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12;9-7(10)5-2-1-3-6(4-5)8(11)12;1-5(2,3-6)4-7/h3-13H2,1-2H3;1-3H,(H,10,11);1-4H,(H,9,10)(H,11,12);6-7H,3-4H2,1-2H3