trisodium 1,3-bis[dodecyl(2-sulfonatooxyethyl)amino]propan-2-yl sulfate

Systemtic Name: trisodium 1,3-bis[dodecyl(2-sulfonatooxyethyl)amino]propan-2-yl sulfate Openeye Name: trisodium 2-[dodecyl-[3-[dodecyl(2-sulfonatooxyethyl)amino]-2-sulfonatooxy-propyl]amino]ethyl sulfate CAS Name: trisodium 1,3-bis[dodecyl(2-sulfonatooxyethyl)amino]propan-2-yl sulfate IUPAC Name: trisodium 1,3-bis[dodecyl(2-sulfonatooxyethyl)amino]propan-2-yl sulfate Traditional Name: trisodium 2-[lauryl-[3-[lauryl(2-sulfatoethyl)amino]-2-sulfato-propyl]amino]ethyl sulfate Formula: C31H63N2Na3O12S3 MolecularWeight: 821.00243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCOS(=O)(=O)[O-])CC(CN(CCCCCCCCCCCC)CCOS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCN(CCOS(=O)(=O)[O-])CC(CN(CCCCCCCCCCCC)CCOS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C31H66N2O12S3.3Na/c1-3-5-7-9-11-13-15-17-19-21-23-32(25-27-43-46(34,35)36)29-31(45-48(40,41)42)30-33(26-28-44-47(37,38)39)24-22-20-18-16-14-12-10-8-6-4-2;;;/h31H,3-30H2,1-2H3,(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3