2-benzamido-3-[4-(1-dodecylsulfanylethoxy)phenyl]propanoic acid

Systemtic Name: 2-benzamido-3-[4-(1-dodecylsulfanylethoxy)phenyl]propanoic acid Openeye Name: 2-benzamido-3-[4-(1-dodecylsulfanylethoxy)phenyl]propanoic acid CAS Name: 2-benzamido-3-[4-[1-(dodecylthio)ethoxy]phenyl]propanoic acid IUPAC Name: 2-benzamido-3-[4-(1-dodecylsulfanylethoxy)phenyl]propanoic acid Traditional Name: 2-benzamido-3-[4-[1-(laurylthio)ethoxy]phenyl]propionic acid Formula: C30H43NO4S MolecularWeight: 513.73172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(C)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCSC(C)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C30H43NO4S/c1-3-4-5-6-7-8-9-10-11-15-22-36-24(2)35-27-20-18-25(19-21-27)23-28(30(33)34)31-29(32)26-16-13-12-14-17-26/h12-14,16-21,24,28H,3-11,15,22-23H2,1-2H3,(H,31,32)(H,33,34)