2-[[4-[(2-carboxyphenyl)sulfanylmethyl]phenyl]methylsulfanyl]benzoic acid

Systemtic Name: 2-[[4-[(2-carboxyphenyl)sulfanylmethyl]phenyl]methylsulfanyl]benzoic acid Openeye Name: 2-[[4-[(2-carboxyphenyl)sulfanylmethyl]phenyl]methylsulfanyl]benzoic acid CAS Name: 2-[[4-[[(2-carboxyphenyl)thio]methyl]phenyl]methylthio]benzoic acid IUPAC Name: 2-[[4-[(2-carboxyphenyl)sulfanylmethyl]phenyl]methylsulfanyl]benzoic acid Traditional Name: 2-[[4-[[(2-carboxyphenyl)thio]methyl]benzyl]thio]benzoic acid Formula: C22H18O4S2 MolecularWeight: 410.50592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=CC=C(C=C2)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=CC=C(C=C2)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H18O4S2/c23-21(24)17-5-1-3-7-19(17)27-13-15-9-11-16(12-10-15)14-28-20-8-4-2-6-18(20)22(25)26/h1-12H,13-14H2,(H,23,24)(H,25,26)