sodium 1,3-bis(2-ethylhexoxy)propan-2-yl hydrogen sulfate

Systemtic Name: sodium 1,3-bis(2-ethylhexoxy)propan-2-yl hydrogen sulfate Openeye Name: sodium [2-(2-ethylhexoxy)-1-(2-ethylhexoxymethyl)ethyl] hydrogen sulfate CAS Name: sodium sulfuric acid 1,3-bis(2-ethylhexoxy)propan-2-yl ester IUPAC Name: sodium 1,3-bis(2-ethylhexoxy)propan-2-yl hydrogen sulfate Traditional Name: sodium sulfuric acid [2-(2-ethylhexoxy)-1-(2-ethylhexoxymethyl)ethyl] ester Formula: C19H40NaO6S+ MolecularWeight: 419.57207

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COCC(COCC(CC)CCCC)OS(=O)(=O)O.[Na+]

Isomeric SMILES

CCCCC(CC)COCC(COCC(CC)CCCC)OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C19H40O6S.Na/c1-5-9-11-17(7-3)13-23-15-19(25-26(20,21)22)16-24-14-18(8-4)12-10-6-2;/h17-19H,5-16H2,1-4H3,(H,20,21,22);/q;+1