3-[3-(2,3,6-tricarboxyphenyl)propyl]benzene-1,2,4-tricarboxylic acid

Systemtic Name: 3-[3-(2,3,6-tricarboxyphenyl)propyl]benzene-1,2,4-tricarboxylic acid Openeye Name: 3-[3-(2,3,6-tricarboxyphenyl)propyl]benzene-1,2,4-tricarboxylic acid CAS Name: 3-[3-(2,3,6-tricarboxyphenyl)propyl]benzene-1,2,4-tricarboxylic acid IUPAC Name: 3-[3-(2,3,6-tricarboxyphenyl)propyl]benzene-1,2,4-tricarboxylic acid Traditional Name: 3-[3-(2,3,6-tricarboxyphenyl)propyl]trimellitic acid Formula: C21H16O12 MolecularWeight: 460.34454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(=O)O)CCCC2=C(C=CC(=C2C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1C(=O)O)CCCC2=C(C=CC(=C2C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C21H16O12/c22-16(23)10-4-6-12(18(26)27)14(20(30)31)8(10)2-1-3-9-11(17(24)25)5-7-13(19(28)29)15(9)21(32)33/h4-7H,1-3H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)(H,32,33)