sodium 2-ethyl-1-(4-ethyl-3-methoxycarbonyl-decanoyl)oxy-octane-1-sulfonate

Systemtic Name: sodium 2-ethyl-1-(4-ethyl-3-methoxycarbonyl-decanoyl)oxy-octane-1-sulfonate Openeye Name: sodium 2-ethyl-1-(4-ethyl-3-methoxycarbonyl-decanoyl)oxy-octane-1-sulfonate CAS Name: sodium 2-ethyl-1-(4-ethyl-3-methoxycarbonyl-1-oxodecoxy)-1-octanesulfonate IUPAC Name: sodium 2-ethyl-1-(4-ethyl-3-methoxycarbonyldecanoyl)oxyoctane-1-sulfonate Traditional Name: sodium 1-(3-carbomethoxy-4-ethyl-decanoyl)oxy-2-ethyl-octane-1-sulfonate Formula: C24H45NaO7S MolecularWeight: 500.66467

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC)C(CC(=O)OC(C(CC)CCCCCC)S(=O)(=O)[O-])C(=O)OC.[Na+]

Isomeric SMILES

CCCCCCC(CC)C(CC(=O)OC(C(CC)CCCCCC)S(=O)(=O)[O-])C(=O)OC.[Na+]

InChI

InChI=1S/C24H46O7S.Na/c1-6-10-12-14-16-19(8-3)21(23(26)30-5)18-22(25)31-24(32(27,28)29)20(9-4)17-15-13-11-7-2;/h19-21,24H,6-18H2,1-5H3,(H,27,28,29);/q;+1/p-1