benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol; propane-1,2,3-triol

Systemtic Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol; propane-1,2,3-triol Openeye Name: furan-2,5-dione; glycerol; isophthalic acid; propane-1,2-diol CAS Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol; propane-1,2,3-triol IUPAC Name: benzene-1,3-dicarboxylic acid; furan-2,5-dione; propane-1,2-diol; propane-1,2,3-triol Traditional Name: furan-2,5-quinone; glycerol; isophthalic acid; propane-1,2-diol Formula: C18H24O12 MolecularWeight: 432.37596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=O)OC1=O.C(C(CO)O)O

Isomeric SMILES

CC(CO)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=O)OC1=O.C(C(CO)O)O

InChI

InChI=1S/C8H6O4.C4H2O3.C3H8O3.C3H8O2/c9-7(10)5-2-1-3-6(4-5)8(11)12;5-3-1-2-4(6)7-3;4-1-3(6)2-5;1-3(5)2-4/h1-4H,(H,9,10)(H,11,12);1-2H;3-6H,1-2H2;3-5H,2H2,1H3