2-[[(Z,8R)-8-[(Z)-docos-15-enoyl]oxy-3-methyl-dec-2-enoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[(Z,8R)-8-[(Z)-docos-15-enoyl]oxy-3-methyl-dec-2-enoyl]amino]ethanesulfonic acid Openeye Name: 2-[[(Z,8R)-8-[(Z)-docos-15-enoyl]oxy-3-methyl-dec-2-enoyl]amino]ethanesulfonic acid CAS Name: 2-[[(Z,8R)-3-methyl-1-oxo-8-[(Z)-1-oxodocos-15-enoxy]dec-2-enyl]amino]ethanesulfonic acid IUPAC Name: 2-[[(Z,8R)-8-[(Z)-docos-15-enoyl]oxy-3-methyldec-2-enoyl]amino]ethanesulfonic acid Traditional Name: 2-[[(Z,8R)-8-[(Z)-docos-15-enoyl]oxy-3-methyl-dec-2-enoyl]amino]ethanesulfonic acid Formula: C35H65NO6S MolecularWeight: 627.9587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCCCCCCCC(=O)OC(CC)CCCCC(=CC(=O)NCCS(=O)(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C35H65NO6S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-35(38)42-33(5-2)27-25-24-26-32(3)31-34(37)36-29-30-43(39,40)41/h10-11,31,33H,4-9,12-30H2,1-3H3,(H,36,37)(H,39,40,41)/b11-10-,32-31-/t33-/m1/s1