sodium 2-[(4-methanoylphenyl)methylamino]ethanesulfonate

Systemtic Name: sodium 2-[(4-methanoylphenyl)methylamino]ethanesulfonate Openeye Name: sodium 2-[(4-formylphenyl)methylamino]ethanesulfonate CAS Name: sodium 2-[(4-formylphenyl)methylamino]ethanesulfonate IUPAC Name: sodium 2-[(4-formylphenyl)methylamino]ethanesulfonate Traditional Name: sodium 2-[(4-formylbenzyl)amino]ethanesulfonate Formula: C10H12NNaO4S MolecularWeight: 265.26135

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCCS(=O)(=O)[O-])C=O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1CNCCS(=O)(=O)[O-])C=O.[Na+]

InChI

InChI=1S/C10H13NO4S.Na/c12-8-10-3-1-9(2-4-10)7-11-5-6-16(13,14)15;/h1-4,8,11H,5-7H2,(H,13,14,15);/q;+1/p-1