2-[[4-[(2-carboxylatophenyl)sulfanylmethyl]phenyl]methylsulfanyl]benzoate

Systemtic Name: 2-[[4-[(2-carboxylatophenyl)sulfanylmethyl]phenyl]methylsulfanyl]benzoate Openeye Name: 2-[[4-[(2-carboxylatophenyl)sulfanylmethyl]phenyl]methylsulfanyl]benzoate CAS Name: 2-[[4-[[(2-carboxylatophenyl)thio]methyl]phenyl]methylthio]benzoate IUPAC Name: 2-[[4-[(2-carboxylatophenyl)sulfanylmethyl]phenyl]methylsulfanyl]benzoate Traditional Name: 2-[[4-[[(2-carboxylatophenyl)thio]methyl]benzyl]thio]benzoate Formula: C22H16O4S2-2 MolecularWeight: 408.49004

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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)/p-2