dipotassium 3-[(4-methanoylphenyl)-(3-sulfonatopropyl)amino]propane-1-sulfonate

Systemtic Name: dipotassium 3-[(4-methanoylphenyl)-(3-sulfonatopropyl)amino]propane-1-sulfonate Openeye Name: dipotassium 3-[4-formyl-N-(3-sulfonatopropyl)anilino]propane-1-sulfonate CAS Name: dipotassium 3-[4-formyl-N-(3-sulfonatopropyl)anilino]-1-propanesulfonate IUPAC Name: dipotassium 3-[4-formyl-N-(3-sulfonatopropyl)anilino]propane-1-sulfonate Traditional Name: dipotassium 3-[4-formyl-N-(3-sulfonatopropyl)anilino]propane-1-sulfonate Formula: C13H17K2NO7S2 MolecularWeight: 441.60318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

C1=CC(=CC=C1C=O)N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C13H19NO7S2.2K/c15-11-12-3-5-13(6-4-12)14(7-1-9-22(16,17)18)8-2-10-23(19,20)21;;/h3-6,11H,1-2,7-10H2,(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2