sodium [(2R)-1,17,18-tris(oxidanyl)-1-oxidanylidene-tetracos-3-yn-2-yl] sulfate

Systemtic Name: sodium [(2R)-1,17,18-tris(oxidanyl)-1-oxidanylidene-tetracos-3-yn-2-yl] sulfate Openeye Name: sodium [(1R)-1-carboxy-16,17-dihydroxy-tricos-2-ynyl] sulfate CAS Name: sodium [(2R)-1,17,18-trihydroxy-1-oxotetracos-3-yn-2-yl] sulfate IUPAC Name: sodium [(2R)-1,17,18-trihydroxy-1-oxotetracos-3-yn-2-yl] sulfate Traditional Name: sodium [(1R)-1-carboxy-16,17-dihydroxy-tricos-2-ynyl] sulfate Formula: C24H43NaO8S MolecularWeight: 514.64819

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CCCCCCCCCCCCC#CC(C(=O)O)OS(=O)(=O)[O-])O)O.[Na+]

Isomeric SMILES

CCCCCCC(C(CCCCCCCCCCCCC#C[C@H](C(=O)O)OS(=O)(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C24H44O8S.Na/c1-2-3-4-15-18-21(25)22(26)19-16-13-11-9-7-5-6-8-10-12-14-17-20-23(24(27)28)32-33(29,30)31;/h21-23,25-26H,2-16,18-19H2,1H3,(H,27,28)(H,29,30,31);/q;+1/p-1/t21?,22?,23-;/m1./s1