sodium 3-(dibutylamino)-4-methoxy-benzenesulfonate

Systemtic Name: sodium 3-(dibutylamino)-4-methoxy-benzenesulfonate Openeye Name: sodium 3-(dibutylamino)-4-methoxy-benzenesulfonate CAS Name: sodium 3-(dibutylamino)-4-methoxybenzenesulfonate IUPAC Name: sodium 3-(dibutylamino)-4-methoxybenzenesulfonate Traditional Name: sodium 3-(dibutylamino)-4-methoxy-besylate Formula: C15H24NNaO4S MolecularWeight: 337.41013

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C(C=CC(=C1)S(=O)(=O)[O-])OC.[Na+]

Isomeric SMILES

CCCCN(CCCC)C1=C(C=CC(=C1)S(=O)(=O)[O-])OC.[Na+]

InChI

InChI=1S/C15H25NO4S.Na/c1-4-6-10-16(11-7-5-2)14-12-13(21(17,18)19)8-9-15(14)20-3;/h8-9,12H,4-7,10-11H2,1-3H3,(H,17,18,19);/q;+1/p-1