sodium 5-methoxy-2-[[(Z)-octadec-9-enyl]amino]benzenesulfonate

Systemtic Name: sodium 5-methoxy-2-[[(Z)-octadec-9-enyl]amino]benzenesulfonate Openeye Name: sodium 5-methoxy-2-[[(Z)-octadec-9-enyl]amino]benzenesulfonate CAS Name: sodium 5-methoxy-2-[[(Z)-octadec-9-enyl]amino]benzenesulfonate IUPAC Name: sodium 5-methoxy-2-[[(Z)-octadec-9-enyl]amino]benzenesulfonate Traditional Name: sodium 5-methoxy-2-[[(Z)-octadec-9-enyl]amino]besylate Formula: C25H42NNaO4S MolecularWeight: 475.66005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-24-20-19-23(30-2)22-25(24)31(27,28)29;/h10-11,19-20,22,26H,3-9,12-18,21H2,1-2H3,(H,27,28,29);/q;+1/p-1/b11-10-;