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

Systemtic Name: [(E,2S,3S,4R)-2-azaniumyl-1,3-bis(oxidanyl)heptadec-6-en-4-yl] sulfate Openeye Name: [(E,1R)-1-[(1S,2S)-2-azaniumyl-1,3-dihydroxy-propyl]tetradec-3-enyl] sulfate CAS Name: [(E,2S,3S,4R)-2-ammonio-1,3-dihydroxyheptadec-6-en-4-yl] sulfate IUPAC Name: [(E,2S,3S,4R)-2-azaniumyl-1,3-dihydroxyheptadec-6-en-4-yl] sulfate Traditional Name: [(E,1R)-1-[(1S,2S)-2-ammonio-1,3-dihydroxy-propyl]tetradec-3-enyl] sulfate Formula: C17H35NO6S MolecularWeight: 381.5279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H35NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(24-25(21,22)23)17(20)15(18)14-19/h11-12,15-17,19-20H,2-10,13-14,18H2,1H3,(H,21,22,23)/b12-11+/t15-,16+,17-/m0/s1