sodium 4-(2-ethylhexoxy)-1-octadecoxy-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: sodium 4-(2-ethylhexoxy)-1-octadecoxy-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: sodium 4-(2-ethylhexoxy)-1-octadecoxy-1,4-dioxo-butane-2-sulfonate CAS Name: sodium 4-(2-ethylhexoxy)-1-octadecoxy-1,4-dioxo-2-butanesulfonate IUPAC Name: sodium 4-(2-ethylhexoxy)-1-octadecoxy-1,4-dioxobutane-2-sulfonate Traditional Name: sodium 4-(2-ethylhexoxy)-1,4-diketo-1-stearyloxy-butane-2-sulfonate Formula: C30H57NaO7S MolecularWeight: 584.82415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C30H58O7S.Na/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-36-30(32)28(38(33,34)35)25-29(31)37-26-27(6-3)23-8-5-2;/h27-28H,4-26H2,1-3H3,(H,33,34,35);/q;+1/p-1