4-[3,4-dicarboxy-2,5-di(undecyl)phenyl]carbonyl-3,6-di(undecyl)phthalic acid

Systemtic Name: 4-[3,4-dicarboxy-2,5-di(undecyl)phenyl]carbonyl-3,6-di(undecyl)phthalic acid Openeye Name: 4-[3,4-dicarboxy-2,5-di(undecyl)benzoyl]-3,6-di(undecyl)phthalic acid CAS Name: 4-[[3,4-dicarboxy-2,5-di(undecyl)phenyl]-oxomethyl]-3,6-di(undecyl)phthalic acid IUPAC Name: 4-[3,4-dicarboxy-2,5-di(undecyl)benzoyl]-3,6-di(undecyl)phthalic acid Traditional Name: 4-[3,4-dicarboxy-2,5-di(undecyl)benzoyl]-3,6-di(undecyl)phthalic acid Formula: C61H98O9 MolecularWeight: 975.42542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C(C(=C(C(=C1)C(=O)C2=CC(=C(C(=C2CCCCCCCCCCC)C(=O)O)C(=O)O)CCCCCCCCCCC)CCCCCCCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC1=C(C(=C(C(=C1)C(=O)C2=CC(=C(C(=C2CCCCCCCCCCC)C(=O)O)C(=O)O)CCCCCCCCCCC)CCCCCCCCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C61H98O9/c1-5-9-13-17-21-25-29-33-37-41-47-45-51(49(55(60(67)68)53(47)58(63)64)43-39-35-31-27-23-19-15-11-7-3)57(62)52-46-48(42-38-34-30-26-22-18-14-10-6-2)54(59(65)66)56(61(69)70)50(52)44-40-36-32-28-24-20-16-12-8-4/h45-46H,5-44H2,1-4H3,(H,63,64)(H,65,66)(H,67,68)(H,69,70)