disodium 2-methyl-2-[3-[[3-[(2-methyl-1-sulfonato-propan-2-yl)amino]-3-oxidanylidene-propyl]-octyl-amino]propanoylamino]propane-1-sulfonate

Systemtic Name: disodium 2-methyl-2-[3-[[3-[(2-methyl-1-sulfonato-propan-2-yl)amino]-3-oxidanylidene-propyl]-octyl-amino]propanoylamino]propane-1-sulfonate Openeye Name: disodium 2-[3-[[3-[(1,1-dimethyl-2-sulfonato-ethyl)amino]-3-oxo-propyl]-octyl-amino]propanoylamino]-2-methyl-propane-1-sulfonate CAS Name: disodium 2-methyl-2-[[3-[[3-[(2-methyl-1-sulfonatopropan-2-yl)amino]-3-oxopropyl]-octylamino]-1-oxopropyl]amino]-1-propanesulfonate IUPAC Name: disodium 2-methyl-2-[3-[[3-[(2-methyl-1-sulfonatopropan-2-yl)amino]-3-oxopropyl]-octylamino]propanoylamino]propane-1-sulfonate Traditional Name: disodium 2-[3-[[3-[(1,1-dimethyl-2-sulfonato-ethyl)amino]-3-keto-propyl]-octyl-amino]propanoylamino]-2-methyl-propane-1-sulfonate Formula: C22H43N3Na2O8S2 MolecularWeight: 587.70166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCC(=O)NC(C)(C)CS(=O)(=O)[O-])CCC(=O)NC(C)(C)CS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCN(CCC(=O)NC(C)(C)CS(=O)(=O)[O-])CCC(=O)NC(C)(C)CS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C22H45N3O8S2.2Na/c1-6-7-8-9-10-11-14-25(15-12-19(26)23-21(2,3)17-34(28,29)30)16-13-20(27)24-22(4,5)18-35(31,32)33;;/h6-18H2,1-5H3,(H,23,26)(H,24,27)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2