benzene-1,3-dicarboxylic acid; 9-oxidanylidene-9-[2-(6-oxidanyl-6-oxidanylidene-hexanoyl)oxyethoxy]nonanoic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; 9-oxidanylidene-9-[2-(6-oxidanyl-6-oxidanylidene-hexanoyl)oxyethoxy]nonanoic acid Openeye Name: 9-[2-(6-hydroxy-6-oxo-hexanoyl)oxyethoxy]-9-oxo-nonanoic acid; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 9-[2-(6-hydroxy-1,6-dioxohexoxy)ethoxy]-9-oxononanoic acid IUPAC Name: benzene-1,3-dicarboxylic acid; 9-[2-(6-hydroxy-6-oxohexanoyl)oxyethoxy]-9-oxononanoic acid Traditional Name: 9-[2-(6-hydroxy-6-keto-hexanoyl)oxyethoxy]-9-keto-pelargonic acid; isophthalic acid Formula: C25H34O12 MolecularWeight: 526.53026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCC(=O)O)CCCC(=O)OCCOC(=O)CCCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCC(=O)O)CCCC(=O)OCCOC(=O)CCCCC(=O)O

InChI

InChI=1S/C17H28O8.C8H6O4/c18-14(19)8-4-2-1-3-5-10-16(22)24-12-13-25-17(23)11-7-6-9-15(20)21;9-7(10)5-2-1-3-6(4-5)8(11)12/h1-13H2,(H,18,19)(H,20,21);1-4H,(H,9,10)(H,11,12)