(1Z,4S,5R,6E)-2-diazonio-1-methoxy-4-methyl-5-oxidanyl-3-oxidanylidene-7-phenyl-hepta-1,6-dien-1-olate

Systemtic Name: (1Z,4S,5R,6E)-2-diazonio-1-methoxy-4-methyl-5-oxidanyl-3-oxidanylidene-7-phenyl-hepta-1,6-dien-1-olate Openeye Name: (1Z,4S,5R,6E)-2-diazonio-5-hydroxy-1-methoxy-4-methyl-3-oxo-7-phenyl-hepta-1,6-dien-1-olate CAS Name: (1Z,4S,5R,6E)-2-diazonio-5-hydroxy-1-methoxy-4-methyl-3-oxo-7-phenyl-1-hepta-1,6-dienolate IUPAC Name: (1Z,4S,5R,6E)-2-diazonio-5-hydroxy-1-methoxy-4-methyl-3-oxo-7-phenylhepta-1,6-dien-1-olate Traditional Name: (1Z,4S,5R,6E)-2-diazonio-5-hydroxy-3-keto-1-methoxy-4-methyl-7-phenyl-hepta-1,6-dien-1-olate Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C=CC1=CC=CC=C1)O)C(=O)C(=C([O-])OC)[N+]#N

Isomeric SMILES

C[C@@H]([C@@H](/C=C/C1=CC=CC=C1)O)C(=O)/C(=C(\[O-])/OC)/[N+]#N

InChI

InChI=1S/C15H16N2O4/c1-10(14(19)13(17-16)15(20)21-2)12(18)9-8-11-6-4-3-5-7-11/h3-10,12,18H,1-2H3/b9-8+/t10-,12+/m0/s1