(Z)-3-[(3aR,5S,6R,6aR)-6-[(3,4-dimethoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-3-[(3aR,5S,6R,6aR)-6-[(3,4-dimethoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-[(3aR,5S,6R,6aR)-6-[(3,4-dimethoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-diazonio-1-ethoxy-3-oxo-prop-1-en-1-olate CAS Name: (Z)-3-[(3aR,5S,6R,6aR)-6-[(3,4-dimethoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-diazonio-1-ethoxy-3-oxo-1-propen-1-olate IUPAC Name: (Z)-3-[(3aR,5S,6R,6aR)-6-[(3,4-dimethoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate Traditional Name: (Z)-3-[(3aR,5S,6R,6aR)-2,2-dimethyl-6-veratryloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-diazonio-1-ethoxy-3-keto-prop-1-en-1-olate Formula: C21H26N2O9 MolecularWeight: 450.43914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C1C(C2C(O1)OC(O2)(C)C)OCC3=CC(=C(C=C3)OC)OC)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(/C(=O)[C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OCC3=CC(=C(C=C3)OC)OC)\[N+]#N)/[O-]

InChI

InChI=1S/C21H26N2O9/c1-6-28-19(25)14(23-22)15(24)16-17(18-20(30-16)32-21(2,3)31-18)29-10-11-7-8-12(26-4)13(9-11)27-5/h7-9,16-18,20H,6,10H2,1-5H3/t16-,17+,18-,20-/m1/s1