(E,5R)-7-methoxy-5-methyl-2-oxidanyl-1-(phenylsulfonyl)hept-1-ene-1-diazonium

Systemtic Name: (E,5R)-7-methoxy-5-methyl-2-oxidanyl-1-(phenylsulfonyl)hept-1-ene-1-diazonium Openeye Name: (E,5R)-1-(benzenesulfonyl)-2-hydroxy-7-methoxy-5-methyl-hept-1-ene-1-diazonium CAS Name: (E,5R)-1-(benzenesulfonyl)-2-hydroxy-7-methoxy-5-methyl-1-heptene-1-diazonium IUPAC Name: (E,5R)-1-(benzenesulfonyl)-2-hydroxy-7-methoxy-5-methylhept-1-ene-1-diazonium Traditional Name: (E,5R)-1-besyl-2-hydroxy-7-methoxy-5-methyl-hept-1-ene-1-diazonium Formula: C15H21N2O4S+ MolecularWeight: 325.40324

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=C([N+]#N)S(=O)(=O)C1=CC=CC=C1)O)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S/c1-12(10-11-21-2)8-9-14(18)15(17-16)22(19,20)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3/p+1/b15-14+/t12-/m1/s1