(Z)-3-[[(E,2S,3R)-1-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]amino]-1-oxidanyl-3-oxidanylidene-1-tetradecoxy-prop-1-ene-2-diazonium

Systemtic Name: (Z)-3-[[(E,2S,3R)-1-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]amino]-1-oxidanyl-3-oxidanylidene-1-tetradecoxy-prop-1-ene-2-diazonium Openeye Name: (Z)-1-hydroxy-3-[[(E,1S,2R)-2-hydroxy-1-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]amino]-3-oxo-1-tetradecoxy-prop-1-ene-2-diazonium CAS Name: (Z)-1-hydroxy-3-[[(E,2S,3R)-3-hydroxy-1-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]octadec-4-en-2-yl]amino]-3-oxo-1-tetradecoxy-1-propene-2-diazonium IUPAC Name: (Z)-1-hydroxy-3-[[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]amino]-3-oxo-1-tetradecoxyprop-1-ene-2-diazonium Traditional Name: (Z)-1-hydroxy-3-[[(E,1S,2R)-2-hydroxy-1-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]amino]-3-keto-1-myristyloxy-prop-1-ene-2-diazonium Formula: C41H76N3O10+ MolecularWeight: 771.05624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=C(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C=CCCCCCCCCCCCCC)O)[N+]#N)O

Isomeric SMILES

CCCCCCCCCCCCCCO/C(=C(/C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O)\[N+]#N)/O

InChI

InChI=1S/C41H75N3O10/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33(46)32(31-53-41-38(49)37(48)36(47)34(30-45)54-41)43-39(50)35(44-42)40(51)52-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h26,28,32-34,36-38,41,45-49H,3-25,27,29-31H2,1-2H3,(H-,43,50,51)/p+1/b28-26+/t32-,33+,34+,36-,37-,38+,41+/m0/s1