2-(5-methyl-2-sulfo-phenyl)ethanoate

Systemtic Name: 2-(5-methyl-2-sulfo-phenyl)ethanoate Openeye Name: 2-(5-methyl-2-sulfo-phenyl)acetate CAS Name: 2-(5-methyl-2-sulfophenyl)acetate IUPAC Name: 2-(5-methyl-2-sulfophenyl)acetate Traditional Name: 2-(5-methyl-2-sulfo-phenyl)acetate Formula: C9H9O5S- MolecularWeight: 229.22976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)CC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)CC(=O)[O-]

InChI

InChI=1S/C9H10O5S/c1-6-2-3-8(15(12,13)14)7(4-6)5-9(10)11/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)/p-1