sodium 5-azanyl-2-methoxy-4-sulfo-benzenesulfonate

Systemtic Name: sodium 5-azanyl-2-methoxy-4-sulfo-benzenesulfonate Openeye Name: sodium 5-amino-2-methoxy-4-sulfo-benzenesulfonate CAS Name: sodium 5-amino-2-methoxy-4-sulfobenzenesulfonate IUPAC Name: sodium 5-amino-2-methoxy-4-sulfobenzenesulfonate Traditional Name: sodium 5-amino-2-methoxy-4-sulfo-besylate Formula: C7H8NNaO7S2 MolecularWeight: 305.26069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9NO7S2.Na/c1-15-5-3-6(16(9,10)11)4(8)2-7(5)17(12,13)14;/h2-3H,8H2,1H3,(H,9,10,11)(H,12,13,14);/q;+1/p-1