disodium; 4-azanyl-4-oxidanylidene-2-sulfo-butanoate; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate

Systemtic Name: disodium; 4-azanyl-4-oxidanylidene-2-sulfo-butanoate; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonate Openeye Name: disodium; 4-amino-4-oxo-2-sulfo-butanoate; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonate CAS Name: disodium; 4-amino-4-oxo-2-sulfobutanoate; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonate IUPAC Name: disodium; 4-amino-4-oxo-2-sulfobutanoate; 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate Traditional Name: disodium; 4-amino-4-keto-2-sulfo-butyrate; 1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonate Formula: C24H43NNa2O13S2 MolecularWeight: 663.70666

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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(C(=O)[O-])S(=O)(=O)O)C(=O)N.[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C20H38O7S.C4H7NO6S.2Na/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;5-3(6)1-2(4(7)8)12(9,10)11;;/h16-18H,5-15H2,1-4H3,(H,23,24,25);2H,1H2,(H2,5,6)(H,7,8)(H,9,10,11);;/q;;2*+1/p-2