[(E,2S,3S,4R)-2-azaniumyl-1,3-bis(oxidanyl)octadec-6-en-4-yl] sulfate

Systemtic Name: [(E,2S,3S,4R)-2-azaniumyl-1,3-bis(oxidanyl)octadec-6-en-4-yl] sulfate Openeye Name: [(E,1R)-1-[(1S,2S)-2-azaniumyl-1,3-dihydroxy-propyl]pentadec-3-enyl] sulfate CAS Name: [(E,2S,3S,4R)-2-ammonio-1,3-dihydroxyoctadec-6-en-4-yl] sulfate IUPAC Name: [(E,2S,3S,4R)-2-azaniumyl-1,3-dihydroxyoctadec-6-en-4-yl] sulfate Traditional Name: [(E,1R)-1-[(1S,2S)-2-ammonio-1,3-dihydroxy-propyl]pentadec-3-enyl] sulfate Formula: C18H37NO6S MolecularWeight: 395.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CCC(C(C(CO)[NH3+])O)OS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCC/C=C/C[C@H]([C@H]([C@H](CO)[NH3+])O)OS(=O)(=O)[O-]

InChI

InChI=1S/C18H37NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(25-26(22,23)24)18(21)16(19)15-20/h12-13,16-18,20-21H,2-11,14-15,19H2,1H3,(H,22,23,24)/b13-12+/t16-,17+,18-/m0/s1