benzene-1,3-dicarboxylic acid; butane-1,3-diol; 6-(8-methylnonoxy)-6-oxidanylidene-hexanoic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; butane-1,3-diol; 6-(8-methylnonoxy)-6-oxidanylidene-hexanoic acid Openeye Name: butane-1,3-diol; isophthalic acid; 6-(8-methylnonoxy)-6-oxo-hexanoic acid CAS Name: benzene-1,3-dicarboxylic acid; butane-1,3-diol; 6-(8-methylnonoxy)-6-oxohexanoic acid IUPAC Name: benzene-1,3-dicarboxylic acid; butane-1,3-diol; 6-(8-methylnonoxy)-6-oxohexanoic acid Traditional Name: butane-1,3-diol; isophthalic acid; 6-keto-6-(8-methylnonoxy)hexanoic acid Formula: C28H46O10 MolecularWeight: 542.65884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCOC(=O)CCCCC(=O)O.CC(CCO)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCCCCCCOC(=O)CCCCC(=O)O.CC(CCO)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C16H30O4.C8H6O4.C4H10O2/c1-14(2)10-6-4-3-5-9-13-20-16(19)12-8-7-11-15(17)18;9-7(10)5-2-1-3-6(4-5)8(11)12;1-4(6)2-3-5/h14H,3-13H2,1-2H3,(H,17,18);1-4H,(H,9,10)(H,11,12);4-6H,2-3H2,1H3