2-[4-(sulfomethyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(sulfomethyl)phenyl]ethanoic acid Openeye Name: 2-[4-(sulfomethyl)phenyl]acetic acid CAS Name: 2-[4-(sulfomethyl)phenyl]acetic acid IUPAC Name: 2-[4-(sulfomethyl)phenyl]acetic acid Traditional Name: 2-[4-(sulfomethyl)phenyl]acetic acid Formula: C9H10O5S MolecularWeight: 230.2377

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)CS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)CS(=O)(=O)O

InChI

InChI=1S/C9H10O5S/c10-9(11)5-7-1-3-8(4-2-7)6-15(12,13)14/h1-4H,5-6H2,(H,10,11)(H,12,13,14)