2-[carboxymethyl-[oxidanyl(oxidanylidene)azaniumyl]amino]-4-methoxy-benzenesulfinate

Systemtic Name: 2-[carboxymethyl-[oxidanyl(oxidanylidene)azaniumyl]amino]-4-methoxy-benzenesulfinate Openeye Name: 2-[carboxymethyl-[hydroxy(oxo)ammonio]amino]-4-methoxy-benzenesulfinate CAS Name: 2-[carboxymethyl-[hydroxy(oxo)ammonio]amino]-4-methoxybenzenesulfinate IUPAC Name: 2-[carboxymethyl-[hydroxy(oxo)azaniumyl]amino]-4-methoxybenzenesulfinate Traditional Name: 2-[carboxymethyl-[hydroxy(keto)ammonio]amino]-4-methoxy-benzenesulfinate Formula: C9H10N2O7S MolecularWeight: 290.2499

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)[O-])N(CC(=O)O)[N+](=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)[O-])N(CC(=O)O)[N+](=O)O

InChI

InChI=1S/C9H10N2O7S/c1-18-6-2-3-8(19(16)17)7(4-6)10(11(14)15)5-9(12)13/h2-4H,5H2,1H3,(H2-,12,13,14,15,16,17)