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

Systemtic Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate; 2-sulfanylethanoate Openeye Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonate; 2-sulfanylacetate CAS Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonate; 2-mercaptoacetate IUPAC Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate; 2-sulfanylacetate Traditional Name: sodium; 1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonate; 2-mercaptoacetate Formula: C24H43NaO11S3-2 MolecularWeight: 626.77639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O7S.2C2H4O2S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;2*3-2(4)1-5;/h16-18H,5-15H2,1-4H3,(H,23,24,25);2*5H,1H2,(H,3,4);/q;;;+1/p-3