disodium 2-[methyl-[(E)-octadec-9-enyl]amino]ethanesulfonate

Systemtic Name: disodium 2-[methyl-[(E)-octadec-9-enyl]amino]ethanesulfonate Openeye Name: disodium 2-[methyl-[(E)-octadec-9-enyl]amino]ethanesulfonate CAS Name: disodium 2-[methyl-[(E)-octadec-9-enyl]amino]ethanesulfonate IUPAC Name: disodium 2-[methyl-[(E)-octadec-9-enyl]amino]ethanesulfonate Traditional Name: disodium 2-[methyl-[(E)-octadec-9-enyl]amino]ethanesulfonate Formula: C42H84N2Na2O6S2 MolecularWeight: 823.2357

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(C)CCS(=O)(=O)[O-].CCCCCCCCC=CCCCCCCCCN(C)CCS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(CCS(=O)(=O)[O-])C.CCCCCCCC/C=C/CCCCCCCCN(CCS(=O)(=O)[O-])C.[Na+].[Na+]

InChI

InChI=1S/2C21H43NO3S.2Na/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21-26(23,24)25;;/h2*10-11H,3-9,12-21H2,1-2H3,(H,23,24,25);;/q;;2*+1/p-2/b2*11-10+;;