2-[[(Z,8R)-3-methyl-8-tricosanoyloxy-dec-2-enoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[(Z,8R)-3-methyl-8-tricosanoyloxy-dec-2-enoyl]amino]ethanesulfonic acid Openeye Name: 2-[[(Z,8R)-3-methyl-8-tricosanoyloxy-dec-2-enoyl]amino]ethanesulfonic acid CAS Name: 2-[[(Z,8R)-3-methyl-1-oxo-8-(1-oxotricosoxy)dec-2-enyl]amino]ethanesulfonic acid IUPAC Name: 2-[[(Z,8R)-3-methyl-8-tricosanoyloxydec-2-enoyl]amino]ethanesulfonic acid Traditional Name: 2-[[(Z,8R)-3-methyl-8-tricosanoyloxy-dec-2-enoyl]amino]ethanesulfonic acid Formula: C36H69NO6S MolecularWeight: 644.00116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC)CCCCC(=CC(=O)NCCS(=O)(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CC)CCCC/C(=C\C(=O)NCCS(=O)(=O)O)/C

InChI

InChI=1S/C36H69NO6S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-36(39)43-34(5-2)28-26-25-27-33(3)32-35(38)37-30-31-44(40,41)42/h32,34H,4-31H2,1-3H3,(H,37,38)(H,40,41,42)/b33-32-/t34-/m1/s1