2-(carboxymethylsulfanyl)-2-(2-undecylsulfanylphenyl)ethanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-2-(2-undecylsulfanylphenyl)ethanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-2-(2-undecylsulfanylphenyl)acetic acid CAS Name: 2-(carboxymethylthio)-2-[2-(undecylthio)phenyl]acetic acid IUPAC Name: 2-(carboxymethylsulfanyl)-2-(2-undecylsulfanylphenyl)acetic acid Traditional Name: 2-(carboxymethylthio)-2-[2-(undecylthio)phenyl]acetic acid Formula: C21H32O4S2 MolecularWeight: 412.60638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCSC1=CC=CC=C1C(C(=O)O)SCC(=O)O

Isomeric SMILES

CCCCCCCCCCCSC1=CC=CC=C1C(C(=O)O)SCC(=O)O

InChI

InChI=1S/C21H32O4S2/c1-2-3-4-5-6-7-8-9-12-15-26-18-14-11-10-13-17(18)20(21(24)25)27-16-19(22)23/h10-11,13-14,20H,2-9,12,15-16H2,1H3,(H,22,23)(H,24,25)