2-[[1,3-di(dec-9-enoyloxy)-2-(dec-9-enoyloxymethyl)propan-2-yl]amino]ethanesulfonic acid

Systemtic Name: 2-[[1,3-di(dec-9-enoyloxy)-2-(dec-9-enoyloxymethyl)propan-2-yl]amino]ethanesulfonic acid Openeye Name: 2-[[2-dec-9-enoyloxy-1,1-bis(dec-9-enoyloxymethyl)ethyl]amino]ethanesulfonic acid CAS Name: 2-[[1,3-bis(1-oxodec-9-enoxy)-2-(1-oxodec-9-enoxymethyl)propan-2-yl]amino]ethanesulfonic acid IUPAC Name: 2-[[1,3-di(dec-9-enoyloxy)-2-(dec-9-enoyloxymethyl)propan-2-yl]amino]ethanesulfonic acid Traditional Name: 2-[[2-dec-9-enoyloxy-1,1-bis(dec-9-enoyloxymethyl)ethyl]amino]ethanesulfonic acid Formula: C36H63NO9S MolecularWeight: 685.95172

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C)(COC(=O)CCCCCCCC=C)NCCS(=O)(=O)O

Isomeric SMILES

C=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C)(COC(=O)CCCCCCCC=C)NCCS(=O)(=O)O

InChI

InChI=1S/C36H63NO9S/c1-4-7-10-13-16-19-22-25-33(38)44-30-36(37-28-29-47(41,42)43,31-45-34(39)26-23-20-17-14-11-8-5-2)32-46-35(40)27-24-21-18-15-12-9-6-3/h4-6,37H,1-3,7-32H2,(H,41,42,43)