sodium 3-methoxycarbonyl-5-sulfo-benzoate

Systemtic Name: sodium 3-methoxycarbonyl-5-sulfo-benzoate Openeye Name: sodium 3-methoxycarbonyl-5-sulfo-benzoate CAS Name: sodium 3-methoxycarbonyl-5-sulfobenzoate IUPAC Name: sodium 3-methoxycarbonyl-5-sulfobenzoate Traditional Name: sodium 3-carbomethoxy-5-sulfo-benzoate Formula: C9H7NaO7S MolecularWeight: 282.20245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O7S.Na/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);/q;+1/p-1