(Z,7R)-18-oxidanylidene-7-sulfooxy-18-(2-sulfooxyethylamino)octadec-9-enoic acid

Systemtic Name: (Z,7R)-18-oxidanylidene-7-sulfooxy-18-(2-sulfooxyethylamino)octadec-9-enoic acid Openeye Name: (Z,7R)-18-oxo-7-sulfooxy-18-(2-sulfooxyethylamino)octadec-9-enoic acid CAS Name: (Z,7R)-18-oxo-7-sulfooxy-18-(2-sulfooxyethylamino)-9-octadecenoic acid IUPAC Name: (Z,7R)-18-oxo-7-sulfooxy-18-(2-sulfooxyethylamino)octadec-9-enoic acid Traditional Name: (Z,7R)-18-keto-7-sulfoxy-18-(2-sulfoxyethylamino)octadec-9-enoic acid Formula: C20H37NO11S2 MolecularWeight: 531.63788

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H37NO11S2/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)/b8-5-/t18-/m0/s1