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

Systemtic Name: 4-[(4-sulfophenyl)methyl]benzenesulfonic acid Openeye Name: 4-[(4-sulfophenyl)methyl]benzenesulfonic acid CAS Name: 4-[(4-sulfophenyl)methyl]benzenesulfonic acid IUPAC Name: 4-[(4-sulfophenyl)methyl]benzenesulfonic acid Traditional Name: 4-(4-sulfobenzyl)besylic acid Formula: C13H12O6S2 MolecularWeight: 328.36078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H12O6S2/c14-20(15,16)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21(17,18)19/h1-8H,9H2,(H,14,15,16)(H,17,18,19)