sodium 2-[(4-methanoylphenyl)-methyl-amino]ethanesulfonate

Systemtic Name: sodium 2-[(4-methanoylphenyl)-methyl-amino]ethanesulfonate Openeye Name: sodium 2-(4-formyl-N-methyl-anilino)ethanesulfonate CAS Name: sodium 2-(4-formyl-N-methylanilino)ethanesulfonate IUPAC Name: sodium 2-(4-formyl-N-methylanilino)ethanesulfonate Traditional Name: sodium 2-(4-formyl-N-methyl-anilino)ethanesulfonate Formula: C10H12NNaO4S MolecularWeight: 265.26135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO4S.Na/c1-11(6-7-16(13,14)15)10-4-2-9(8-12)3-5-10;/h2-5,8H,6-7H2,1H3,(H,13,14,15);/q;+1/p-1