6-[16-(2,3,5-tricarboxyphenyl)hexadecyl]benzene-1,2,4-tricarboxylic acid

Systemtic Name: 6-[16-(2,3,5-tricarboxyphenyl)hexadecyl]benzene-1,2,4-tricarboxylic acid Openeye Name: 6-[16-(2,3,5-tricarboxyphenyl)hexadecyl]benzene-1,2,4-tricarboxylic acid CAS Name: 6-[16-(2,3,5-tricarboxyphenyl)hexadecyl]benzene-1,2,4-tricarboxylic acid IUPAC Name: 6-[16-(2,3,5-tricarboxyphenyl)hexadecyl]benzene-1,2,4-tricarboxylic acid Traditional Name: 6-[16-(2,3,5-tricarboxyphenyl)hexadecyl]trimellitic acid Formula: C34H42O12 MolecularWeight: 642.69008

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(=O)O)C(=O)O)CCCCCCCCCCCCCCCCC2=CC(=CC(=C2C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1C(=O)O)C(=O)O)CCCCCCCCCCCCCCCCC2=CC(=CC(=C2C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C34H42O12/c35-29(36)23-17-21(27(33(43)44)25(19-23)31(39)40)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-22-18-24(30(37)38)20-26(32(41)42)28(22)34(45)46/h17-20H,1-16H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)