sodium 4-[[(E)-octadec-9-enyl]amino]benzenesulfonate

Systemtic Name: sodium 4-[[(E)-octadec-9-enyl]amino]benzenesulfonate Openeye Name: sodium 4-[[(E)-octadec-9-enyl]amino]benzenesulfonate CAS Name: sodium 4-[[(E)-octadec-9-enyl]amino]benzenesulfonate IUPAC Name: sodium 4-[[(E)-octadec-9-enyl]amino]benzenesulfonate Traditional Name: sodium 4-[[(E)-octadec-9-enyl]amino]besylate Formula: C24H40NNaO3S MolecularWeight: 445.63407

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C24H41NO3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-23-18-20-24(21-19-23)29(26,27)28;/h9-10,18-21,25H,2-8,11-17,22H2,1H3,(H,26,27,28);/q;+1/p-1/b10-9+;