disodium [(Z,7R)-1-oxidanyl-1,18-bis(oxidanylidene)-18-(2-sulfonatooxyethylamino)octadec-9-en-7-yl] sulfate

Systemtic Name: disodium [(Z,7R)-1-oxidanyl-1,18-bis(oxidanylidene)-18-(2-sulfonatooxyethylamino)octadec-9-en-7-yl] sulfate Openeye Name: disodium [(Z,1R)-1-(6-hydroxy-6-oxo-hexyl)-12-oxo-12-(2-sulfonatooxyethylamino)dodec-3-enyl] sulfate CAS Name: disodium [(Z,7R)-1-hydroxy-1,18-dioxo-18-(2-sulfonatooxyethylamino)octadec-9-en-7-yl] sulfate IUPAC Name: disodium [(Z,7R)-1-hydroxy-1,18-dioxo-18-(2-sulfonatooxyethylamino)octadec-9-en-7-yl] sulfate Traditional Name: disodium [(Z,1R)-1-(6-hydroxy-6-keto-hexyl)-12-keto-12-(2-sulfatoethylamino)dodec-3-enyl] sulfate Formula: C20H35NNa2O11S2 MolecularWeight: 575.60154

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCC=CCC(CCCCCC(=O)O)OS(=O)(=O)[O-])CCCC(=O)NCCOS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C(CCC/C=C\C[C@@H](CCCCCC(=O)O)OS(=O)(=O)[O-])CCCC(=O)NCCOS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H37NO11S2.2Na/c22-19(21-16-17-31-33(25,26)27)14-10-6-4-2-1-3-5-8-12-18(32-34(28,29)30)13-9-7-11-15-20(23)24;;/h5,8,18H,1-4,6-7,9-17H2,(H,21,22)(H,23,24)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/b8-5-;;/t18-;;/m0../s1