sodium 2-[methyl-(6-octadecanoylnaphthalen-2-yl)amino]ethanesulfonate

Systemtic Name: sodium 2-[methyl-(6-octadecanoylnaphthalen-2-yl)amino]ethanesulfonate Openeye Name: sodium 2-[methyl-(6-octadecanoyl-2-naphthyl)amino]ethanesulfonate CAS Name: sodium 2-[methyl-[6-(1-oxooctadecyl)-2-naphthalenyl]amino]ethanesulfonate IUPAC Name: sodium 2-[methyl-(6-octadecanoylnaphthalen-2-yl)amino]ethanesulfonate Traditional Name: sodium 2-[methyl-(6-stearoyl-2-naphthyl)amino]ethanesulfonate Formula: C31H48NNaO4S MolecularWeight: 553.77189

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=CC2=C(C=C1)C=C(C=C2)N(C)CCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=CC2=C(C=C1)C=C(C=C2)N(C)CCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C31H49NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(33)29-20-19-28-26-30(22-21-27(28)25-29)32(2)23-24-37(34,35)36;/h19-22,25-26H,3-18,23-24H2,1-2H3,(H,34,35,36);/q;+1/p-1