disodium 4-[2-(hexadecanoyloxymethyl)-2-(hydroxymethyl)-3-oxidanyl-propoxy]-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: disodium 4-[2-(hexadecanoyloxymethyl)-2-(hydroxymethyl)-3-oxidanyl-propoxy]-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: disodium 4-[2-(hexadecanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propoxy]-4-oxo-2-sulfonato-butanoate CAS Name: disodium 4-[2,2-bis(hydroxymethyl)-3-(1-oxohexadecoxy)propoxy]-4-oxo-2-sulfonatobutanoate IUPAC Name: disodium 4-[2-(hexadecanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propoxy]-4-oxo-2-sulfonatobutanoate Traditional Name: disodium 4-[2-(hexadecanoyloxymethyl)-3-hydroxy-2-methylol-propoxy]-4-keto-2-sulfonato-butyrate Formula: C25H44Na2O11S MolecularWeight: 598.6548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C25H46O11S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(28)35-19-25(17-26,18-27)20-36-23(29)16-21(24(30)31)37(32,33)34;;/h21,26-27H,2-20H2,1H3,(H,30,31)(H,32,33,34);;/q;2*+1/p-2