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

Systemtic Name: azanium; sodium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate; octanoate Openeye Name: ammonium; sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonate; octanoate CAS Name: ammonium; sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonate; octanoate IUPAC Name: azanium; sodium; 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate; octanoate Traditional Name: ammonium; sodium; 1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonate; caprylate Formula: C28H56NNaO9S MolecularWeight: 605.80031

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[O-].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[NH4+].[Na+]

Isomeric SMILES

CCCCCCCC(=O)[O-].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[NH4+].[Na+]

InChI

InChI=1S/C20H38O7S.C8H16O2.H3N.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;1-2-3-4-5-6-7-8(9)10;;/h16-18H,5-15H2,1-4H3,(H,23,24,25);2-7H2,1H3,(H,9,10);1H3;/q;;;+1/p-1