disodium 4-(ethoxymethyl)-6-[ethoxymethyl(3-sulfonatopropyl)amino]-6-oxidanylidene-hexane-1-sulfonate

Systemtic Name: disodium 4-(ethoxymethyl)-6-[ethoxymethyl(3-sulfonatopropyl)amino]-6-oxidanylidene-hexane-1-sulfonate Openeye Name: disodium 4-(ethoxymethyl)-6-[ethoxymethyl(3-sulfonatopropyl)amino]-6-oxo-hexane-1-sulfonate CAS Name: disodium 4-(ethoxymethyl)-6-[ethoxymethyl(3-sulfonatopropyl)amino]-6-oxo-1-hexanesulfonate IUPAC Name: disodium 4-(ethoxymethyl)-6-[ethoxymethyl(3-sulfonatopropyl)amino]-6-oxohexane-1-sulfonate Traditional Name: disodium 4-(ethoxymethyl)-6-[ethoxymethyl(3-sulfonatopropyl)amino]-6-keto-hexane-1-sulfonate Formula: C15H29NNa2O9S2 MolecularWeight: 477.5016

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(CCCS(=O)(=O)[O-])CC(=O)N(CCCS(=O)(=O)[O-])COCC.[Na+].[Na+]

Isomeric SMILES

CCOCC(CCCS(=O)(=O)[O-])CC(=O)N(CCCS(=O)(=O)[O-])COCC.[Na+].[Na+]

InChI

InChI=1S/C15H31NO9S2.2Na/c1-3-24-12-14(7-5-9-26(18,19)20)11-15(17)16(13-25-4-2)8-6-10-27(21,22)23;;/h14H,3-13H2,1-2H3,(H,18,19,20)(H,21,22,23);;/q;2*+1/p-2