5-(2-methylpropoxy)-2-sulfo-benzoic acid

Systemtic Name: 5-(2-methylpropoxy)-2-sulfo-benzoic acid Openeye Name: 5-isobutoxy-2-sulfo-benzoic acid CAS Name: 5-(2-methylpropoxy)-2-sulfobenzoic acid IUPAC Name: 5-(2-methylpropoxy)-2-sulfobenzoic acid Traditional Name: 5-isobutoxy-2-sulfo-benzoic acid Formula: C11H14O6S MolecularWeight: 274.29026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC(=C(C=C1)S(=O)(=O)O)C(=O)O

Isomeric SMILES

CC(C)COC1=CC(=C(C=C1)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C11H14O6S/c1-7(2)6-17-8-3-4-10(18(14,15)16)9(5-8)11(12)13/h3-5,7H,6H2,1-2H3,(H,12,13)(H,14,15,16)