dodecane; 6-[(2,3,5-tricarboxyphenyl)methyl]benzene-1,2,4-tricarboxylic acid

Systemtic Name: dodecane; 6-[(2,3,5-tricarboxyphenyl)methyl]benzene-1,2,4-tricarboxylic acid Openeye Name: dodecane; 6-[(2,3,5-tricarboxyphenyl)methyl]benzene-1,2,4-tricarboxylic acid CAS Name: dodecane; 6-[(2,3,5-tricarboxyphenyl)methyl]benzene-1,2,4-tricarboxylic acid IUPAC Name: dodecane; 6-[(2,3,5-tricarboxyphenyl)methyl]benzene-1,2,4-tricarboxylic acid Traditional Name: dodecane; 6-(2,3,5-tricarboxybenzyl)trimellitic acid Formula: C31H38O12 MolecularWeight: 602.62622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC.C1=C(C=C(C(=C1C(=O)O)C(=O)O)CC2=CC(=CC(=C2C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC.C1=C(C=C(C(=C1C(=O)O)C(=O)O)CC2=CC(=CC(=C2C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C19H12O12.C12H26/c20-14(21)8-2-6(12(18(28)29)10(4-8)16(24)25)1-7-3-9(15(22)23)5-11(17(26)27)13(7)19(30)31;1-3-5-7-9-11-12-10-8-6-4-2/h2-5H,1H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31);3-12H2,1-2H3