disodium 4-(10-methylundecoxy)-4-oxidanylidene-3-sulfonato-butanoate

Systemtic Name: disodium 4-(10-methylundecoxy)-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: disodium 4-(10-methylundecoxy)-4-oxo-3-sulfonato-butanoate CAS Name: disodium 4-(10-methylundecoxy)-4-oxo-3-sulfonatobutanoate IUPAC Name: disodium 4-(10-methylundecoxy)-4-oxo-3-sulfonatobutanoate Traditional Name: disodium 4-keto-4-(10-methylundecoxy)-3-sulfonato-butyrate Formula: C16H28Na2O7S MolecularWeight: 410.43386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30O7S.2Na/c1-13(2)10-8-6-4-3-5-7-9-11-23-16(19)14(12-15(17)18)24(20,21)22;;/h13-14H,3-12H2,1-2H3,(H,17,18)(H,20,21,22);;/q;2*+1/p-2