benzene-1,3-dicarboxylic acid; decanedioic acid; 4-(2-hydroxyethyloxycarbonyl)benzoic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; decanedioic acid; 4-(2-hydroxyethyloxycarbonyl)benzoic acid Openeye Name: decanedioic acid; 4-(2-hydroxyethoxycarbonyl)benzoic acid; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; decanedioic acid; 4-[2-hydroxyethoxy(oxo)methyl]benzoic acid IUPAC Name: benzene-1,3-dicarboxylic acid; decanedioic acid; 4-(2-hydroxyethoxycarbonyl)benzoic acid Traditional Name: 4-(2-hydroxyethoxycarbonyl)benzoic acid; isophthalic acid; sebacic acid Formula: C28H34O13 MolecularWeight: 578.56176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)OCCO.C(CCCCC(=O)O)CCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)OCCO.C(CCCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C10H10O5.C10H18O4.C8H6O4/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13;11-9(12)7-5-3-1-2-4-6-8-10(13)14;9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11H,5-6H2,(H,12,13);1-8H2,(H,11,12)(H,13,14);1-4H,(H,9,10)(H,11,12)