disodium; dodecan-1-ol; 4-oxidanyl-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: disodium; dodecan-1-ol; 4-oxidanyl-4-oxidanylidene-3-sulfo-butanoate Openeye Name: disodium; dodecan-1-ol; 4-hydroxy-4-oxo-3-sulfo-butanoate CAS Name: disodium; 1-dodecanol; 4-hydroxy-4-oxo-3-sulfobutanoate IUPAC Name: disodium; dodecan-1-ol; 4-hydroxy-4-oxo-3-sulfobutanoate Traditional Name: disodium; dodecan-1-ol; 4-hydroxy-4-keto-3-sulfo-butyrate Formula: C20H36Na2O15S2 MolecularWeight: 626.60038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H26O.2C4H6O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13;2*5-3(6)1-2(4(7)8)12(9,10)11;;/h13H,2-12H2,1H3;2*2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;/q;;;2*+1/p-2