disodium 4-[2,2-bis(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxy-propoxy]-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: disodium 4-[2,2-bis(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxy-propoxy]-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: disodium 4-[2,2-bis(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxy-propoxy]-4-oxo-2-sulfonato-butanoate CAS Name: disodium 4-[2,2-bis(hydroxymethyl)-3-[(E)-1-oxooctadec-9-enoxy]propoxy]-4-oxo-2-sulfonatobutanoate IUPAC Name: disodium 4-[2,2-bis(hydroxymethyl)-3-[(E)-octadec-9-enoyl]oxypropoxy]-4-oxo-2-sulfonatobutanoate Traditional Name: disodium 4-[2,2-dimethylol-3-[(E)-octadec-9-enoyl]oxy-propoxy]-4-keto-2-sulfonato-butyrate Formula: C27H46Na2O11S MolecularWeight: 624.69208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48O11S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(30)37-21-27(19-28,20-29)22-38-25(31)18-23(26(32)33)39(34,35)36;;/h9-10,23,28-29H,2-8,11-22H2,1H3,(H,32,33)(H,34,35,36);;/q;2*+1/p-2/b10-9+;;