disodium 4-hexacosan-13-yloxy-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: disodium 4-hexacosan-13-yloxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: disodium 4-(1-dodecyltetradecoxy)-4-oxo-3-sulfo-butanoate CAS Name: disodium 4-hexacosan-13-yloxy-4-oxo-3-sulfobutanoate IUPAC Name: disodium 4-hexacosan-13-yloxy-4-oxo-3-sulfobutanoate Traditional Name: disodium 4-keto-4-(1-lauryltetradecoxy)-3-sulfo-butyrate Formula: C30H57Na2O7S+ MolecularWeight: 607.81392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCCCCCCCCCC)OC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCC(CCCCCCCCCCCC)OC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C30H58O7S.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(24-22-20-18-16-14-12-10-8-6-4-2)37-30(33)28(26-29(31)32)38(34,35)36;;/h27-28H,3-26H2,1-2H3,(H,31,32)(H,34,35,36);;/q;2*+1/p-1