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

Systemtic Name: sodium 2-[(6-dodecanoylnaphthalen-2-yl)-methyl-amino]ethanesulfonate Openeye Name: sodium 2-[(6-dodecanoyl-2-naphthyl)-methyl-amino]ethanesulfonate CAS Name: sodium 2-[methyl-[6-(1-oxododecyl)-2-naphthalenyl]amino]ethanesulfonate IUPAC Name: sodium 2-[(6-dodecanoylnaphthalen-2-yl)-methylamino]ethanesulfonate Traditional Name: sodium 2-[(6-lauroyl-2-naphthyl)-methyl-amino]ethanesulfonate Formula: C25H36NNaO4S MolecularWeight: 469.61241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-25(27)23-14-13-22-20-24(16-15-21(22)19-23)26(2)17-18-31(28,29)30;/h13-16,19-20H,3-12,17-18H2,1-2H3,(H,28,29,30);/q;+1/p-1