2-[2-(3-hexadecanoyloxyoctadecanoylamino)ethanoylamino]ethanesulfonic acid

Systemtic Name: 2-[2-(3-hexadecanoyloxyoctadecanoylamino)ethanoylamino]ethanesulfonic acid Openeye Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)acetyl]amino]ethanesulfonic acid CAS Name: 2-[[1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]ethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)acetyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)acetyl]amino]ethanesulfonic acid Formula: C38H74N2O7S MolecularWeight: 703.06836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)NCC(=O)NCCS(=O)(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)NCC(=O)NCCS(=O)(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C38H74N2O7S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(33-36(41)40-34-37(42)39-31-32-48(44,45)46)47-38(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34H2,1-2H3,(H,39,42)(H,40,41)(H,44,45,46)