sodium 4-azanyl-3,5-dibutyl-benzenesulfonate

Systemtic Name: sodium 4-azanyl-3,5-dibutyl-benzenesulfonate Openeye Name: sodium 4-amino-3,5-dibutyl-benzenesulfonate CAS Name: sodium 4-amino-3,5-dibutylbenzenesulfonate IUPAC Name: sodium 4-amino-3,5-dibutylbenzenesulfonate Traditional Name: sodium 4-amino-3,5-dibutyl-besylate Formula: C14H22NNaO3S MolecularWeight: 307.38415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1N)CCCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC1=CC(=CC(=C1N)CCCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H23NO3S.Na/c1-3-5-7-11-9-13(19(16,17)18)10-12(14(11)15)8-6-4-2;/h9-10H,3-8,15H2,1-2H3,(H,16,17,18);/q;+1/p-1