3-phenyl-2-[4-(sulfomethyl)phenoxy]propanoic acid

Systemtic Name: 3-phenyl-2-[4-(sulfomethyl)phenoxy]propanoic acid Openeye Name: 3-phenyl-2-[4-(sulfomethyl)phenoxy]propanoic acid CAS Name: 3-phenyl-2-[4-(sulfomethyl)phenoxy]propanoic acid IUPAC Name: 3-phenyl-2-[4-(sulfomethyl)phenoxy]propanoic acid Traditional Name: 3-phenyl-2-[4-(sulfomethyl)phenoxy]propionic acid Formula: C16H16O6S MolecularWeight: 336.35964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)OC2=CC=C(C=C2)CS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)OC2=CC=C(C=C2)CS(=O)(=O)O

InChI

InChI=1S/C16H16O6S/c17-16(18)15(10-12-4-2-1-3-5-12)22-14-8-6-13(7-9-14)11-23(19,20)21/h1-9,15H,10-11H2,(H,17,18)(H,19,20,21)