2-[2-(2-methyl-1-sulfo-propoxy)phenyl]ethanoic acid

Systemtic Name: 2-[2-(2-methyl-1-sulfo-propoxy)phenyl]ethanoic acid Openeye Name: 2-[2-(2-methyl-1-sulfo-propoxy)phenyl]acetic acid CAS Name: 2-[2-(2-methyl-1-sulfopropoxy)phenyl]acetic acid IUPAC Name: 2-[2-(2-methyl-1-sulfopropoxy)phenyl]acetic acid Traditional Name: 2-[2-(2-methyl-1-sulfo-propoxy)phenyl]acetic acid Formula: C12H16O6S MolecularWeight: 288.31684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(OC1=CC=CC=C1CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)C(OC1=CC=CC=C1CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H16O6S/c1-8(2)12(19(15,16)17)18-10-6-4-3-5-9(10)7-11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)(H,15,16,17)