4-[(4-sulfophenyl)methylsulfanylmethyl]benzenesulfonic acid

Systemtic Name: 4-[(4-sulfophenyl)methylsulfanylmethyl]benzenesulfonic acid Openeye Name: 4-[(4-sulfophenyl)methylsulfanylmethyl]benzenesulfonic acid CAS Name: 4-[[(4-sulfophenyl)methylthio]methyl]benzenesulfonic acid IUPAC Name: 4-[(4-sulfophenyl)methylsulfanylmethyl]benzenesulfonic acid Traditional Name: 4-[[(4-sulfobenzyl)thio]methyl]besylic acid Formula: C14H14O6S3 MolecularWeight: 374.45236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSCC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H14O6S3/c15-22(16,17)13-5-1-11(2-6-13)9-21-10-12-3-7-14(8-4-12)23(18,19)20/h1-8H,9-10H2,(H,15,16,17)(H,18,19,20)