disodium 4-(16-methylheptadecoxy)-4-oxidanylidene-3-sulfonato-butanoate

Systemtic Name: disodium 4-(16-methylheptadecoxy)-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: disodium 4-(16-methylheptadecoxy)-4-oxo-3-sulfonato-butanoate CAS Name: disodium 4-(16-methylheptadecoxy)-4-oxo-3-sulfonatobutanoate IUPAC Name: disodium 4-(16-methylheptadecoxy)-4-oxo-3-sulfonatobutanoate Traditional Name: disodium 4-keto-4-(16-methylheptadecoxy)-3-sulfonato-butyrate Formula: C22H40Na2O7S MolecularWeight: 494.59334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O7S.2Na/c1-19(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-29-22(25)20(18-21(23)24)30(26,27)28;;/h19-20H,3-18H2,1-2H3,(H,23,24)(H,26,27,28);;/q;2*+1/p-2