sodium 3-[(2-oxidanyl-6-propyl-phenyl)amino]propane-1-sulfonate

Systemtic Name: sodium 3-[(2-oxidanyl-6-propyl-phenyl)amino]propane-1-sulfonate Openeye Name: sodium 3-(2-hydroxy-6-propyl-anilino)propane-1-sulfonate CAS Name: sodium 3-(2-hydroxy-6-propylanilino)-1-propanesulfonate IUPAC Name: sodium 3-(2-hydroxy-6-propylanilino)propane-1-sulfonate Traditional Name: sodium 3-(2-hydroxy-6-propyl-anilino)propane-1-sulfonate Formula: C12H18NNaO4S MolecularWeight: 295.33039

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC=C1)O)NCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=C(C(=CC=C1)O)NCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H19NO4S.Na/c1-2-5-10-6-3-7-11(14)12(10)13-8-4-9-18(15,16)17;/h3,6-7,13-14H,2,4-5,8-9H2,1H3,(H,15,16,17);/q;+1/p-1