5-octan-4-yloxycarbonylbenzene-1,2,4-tricarboxylic acid

Systemtic Name: 5-octan-4-yloxycarbonylbenzene-1,2,4-tricarboxylic acid Openeye Name: 5-(1-propylpentoxycarbonyl)benzene-1,2,4-tricarboxylic acid CAS Name: 5-[octan-4-yloxy(oxo)methyl]benzene-1,2,4-tricarboxylic acid IUPAC Name: 5-octan-4-yloxycarbonylbenzene-1,2,4-tricarboxylic acid Traditional Name: 5-(1-propylpentoxycarbonyl)trimellitic acid Formula: C18H22O8 MolecularWeight: 366.36248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)OC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CCC)OC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C18H22O8/c1-3-5-7-10(6-4-2)26-18(25)14-9-12(16(21)22)11(15(19)20)8-13(14)17(23)24/h8-10H,3-7H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)