disodium 4-oxidanylidene-3-sulfonato-4-tridecoxy-butanoate

Systemtic Name: disodium 4-oxidanylidene-3-sulfonato-4-tridecoxy-butanoate Openeye Name: disodium 4-oxo-3-sulfonato-4-tridecoxy-butanoate CAS Name: disodium 4-oxo-3-sulfonato-4-tridecoxybutanoate IUPAC Name: disodium 4-oxo-3-sulfonato-4-tridecoxybutanoate Traditional Name: disodium 4-keto-3-sulfonato-4-tridecoxy-butyrate Formula: C17H30Na2O7S MolecularWeight: 424.46044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H32O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-24-17(20)15(14-16(18)19)25(21,22)23;;/h15H,2-14H2,1H3,(H,18,19)(H,21,22,23);;/q;2*+1/p-2