disodium [(Z,7R)-18-butoxy-7-oxidanidyl-18-oxidanylidene-octadec-9-enyl] sulfate

Systemtic Name: disodium [(Z,7R)-18-butoxy-7-oxidanidyl-18-oxidanylidene-octadec-9-enyl] sulfate Openeye Name: disodium [(Z,7R)-18-butoxy-7-oxido-18-oxo-octadec-9-enyl] sulfate CAS Name: disodium [(Z,7R)-18-butoxy-7-oxido-18-oxooctadec-9-enyl] sulfate IUPAC Name: disodium [(Z,7R)-18-butoxy-7-oxido-18-oxooctadec-9-enyl] sulfate Traditional Name: disodium [(Z,7R)-18-butoxy-18-keto-7-oxido-octadec-9-enyl] sulfate Formula: C22H40Na2O7S MolecularWeight: 494.59334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCCCCCCC=CCC(CCCCCCOS(=O)(=O)[O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCCOC(=O)CCCCCCC/C=C\C[C@@H](CCCCCCOS(=O)(=O)[O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C22H41O7S.2Na/c1-2-3-19-28-22(24)18-14-9-7-5-4-6-8-12-16-21(23)17-13-10-11-15-20-29-30(25,26)27;;/h8,12,21H,2-7,9-11,13-20H2,1H3,(H,25,26,27);;/q-1;2*+1/p-1/b12-8-;;/t21-;;/m0../s1