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

Systemtic Name: trisodium 1,3-bis[dodecyl(2-sulfonatooxyethanoyl)amino]propan-2-yl sulfate Openeye Name: trisodium [2-[dodecyl-[3-[dodecyl-(2-sulfonatooxyacetyl)amino]-2-sulfonatooxy-propyl]amino]-2-oxo-ethyl] sulfate CAS Name: trisodium 1,3-bis[dodecyl-(1-oxo-2-sulfonatooxyethyl)amino]propan-2-yl sulfate IUPAC Name: trisodium 1,3-bis[dodecyl-(2-sulfonatooxyacetyl)amino]propan-2-yl sulfate Traditional Name: trisodium [2-keto-2-[lauryl-[3-[lauryl-(2-sulfatoacetyl)amino]-2-sulfato-propyl]amino]ethyl] sulfate Formula: C31H59N2Na3O14S3 MolecularWeight: 848.96947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H62N2O14S3.3Na/c1-3-5-7-9-11-13-15-17-19-21-23-32(30(34)27-45-48(36,37)38)25-29(47-50(42,43)44)26-33(31(35)28-46-49(39,40)41)24-22-20-18-16-14-12-10-8-6-4-2;;;/h29H,3-28H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,42,43,44);;;/q;3*+1/p-3