5-[3-carboxy-4-(dodecanoylamino)phenyl]-2-(dodecanoylamino)benzoic acid

Systemtic Name: 5-[3-carboxy-4-(dodecanoylamino)phenyl]-2-(dodecanoylamino)benzoic acid Openeye Name: 5-[3-carboxy-4-(dodecanoylamino)phenyl]-2-(dodecanoylamino)benzoic acid CAS Name: 5-[3-carboxy-4-(1-oxododecylamino)phenyl]-2-(1-oxododecylamino)benzoic acid IUPAC Name: 5-[3-carboxy-4-(dodecanoylamino)phenyl]-2-(dodecanoylamino)benzoic acid Traditional Name: 5-[3-carboxy-4-(lauroylamino)phenyl]-2-(lauroylamino)benzoic acid Formula: C38H56N2O6 MolecularWeight: 636.86104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)CCCCCCCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)CCCCCCCCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C38H56N2O6/c1-3-5-7-9-11-13-15-17-19-21-35(41)39-33-25-23-29(27-31(33)37(43)44)30-24-26-34(32(28-30)38(45)46)40-36(42)22-20-18-16-14-12-10-8-6-4-2/h23-28H,3-22H2,1-2H3,(H,39,41)(H,40,42)(H,43,44)(H,45,46)