disodium [(Z)-1-butoxy-12-oxidanidyl-1-oxidanylidene-octadec-9-en-2-yl] sulfate

Systemtic Name: disodium [(Z)-1-butoxy-12-oxidanidyl-1-oxidanylidene-octadec-9-en-2-yl] sulfate Openeye Name: disodium [(Z)-1-butoxycarbonyl-11-oxido-heptadec-8-enyl] sulfate CAS Name: disodium [(Z)-1-butoxy-12-oxido-1-oxooctadec-9-en-2-yl] sulfate IUPAC Name: disodium [(Z)-1-butoxy-12-oxido-1-oxooctadec-9-en-2-yl] sulfate Traditional Name: disodium [(Z)-1-butoxycarbonyl-11-oxido-heptadec-8-enyl] sulfate Formula: C22H40Na2O7S MolecularWeight: 494.59334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCC(C(=O)OCCCC)OS(=O)(=O)[O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCC(C/C=C\CCCCCCC(C(=O)OCCCC)OS(=O)(=O)[O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C22H41O7S.2Na/c1-3-5-7-13-16-20(23)17-14-11-9-8-10-12-15-18-21(29-30(25,26)27)22(24)28-19-6-4-2;;/h11,14,20-21H,3-10,12-13,15-19H2,1-2H3,(H,25,26,27);;/q-1;2*+1/p-1/b14-11-;;