3-ethoxycarbonyl-5-sulfo-benzoate

Systemtic Name: 3-ethoxycarbonyl-5-sulfo-benzoate Openeye Name: 3-ethoxycarbonyl-5-sulfo-benzoate CAS Name: 3-ethoxycarbonyl-5-sulfobenzoate IUPAC Name: 3-ethoxycarbonyl-5-sulfobenzoate Traditional Name: 3-carbethoxy-5-sulfo-benzoate Formula: C10H9O7S- MolecularWeight: 273.23926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O7S/c1-2-17-10(13)7-3-6(9(11)12)4-8(5-7)18(14,15)16/h3-5H,2H2,1H3,(H,11,12)(H,14,15,16)/p-1