3-methoxycarbonyl-5-sulfo-benzoate

Systemtic Name: 3-methoxycarbonyl-5-sulfo-benzoate Openeye Name: 3-methoxycarbonyl-5-sulfo-benzoate CAS Name: 3-methoxycarbonyl-5-sulfobenzoate IUPAC Name: 3-methoxycarbonyl-5-sulfobenzoate Traditional Name: 3-carbomethoxy-5-sulfo-benzoate Formula: C9H7O7S- MolecularWeight: 259.21268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O7S/c1-16-9(12)6-2-5(8(10)11)3-7(4-6)17(13,14)15/h2-4H,1H3,(H,10,11)(H,13,14,15)/p-1