(E)-1-[2-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-4-phenyl-1,3-oxazolidin-3-yl]-2-diazonio-2-phenylperoxysulfanyl-ethenolate

Systemtic Name: (E)-1-[2-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-4-phenyl-1,3-oxazolidin-3-yl]-2-diazonio-2-phenylperoxysulfanyl-ethenolate Openeye Name: (E)-1-[2-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-4-phenyl-oxazolidin-3-yl]-2-diazonio-2-phenylperoxysulfanyl-ethenolate CAS Name: (E)-1-[2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-phenyl-3-oxazolidinyl]-2-diazonio-2-(phenyldioxythio)ethenolate IUPAC Name: (E)-1-[2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-phenyl-1,3-oxazolidin-3-yl]-2-diazonio-2-phenylperoxysulfanylethenolate Traditional Name: (E)-1-[2-[3-(cyclopentoxy)-4-methoxy-benzyl]-4-phenyl-oxazolidin-3-yl]-2-diazonio-2-(phenylperoxythio)ethenolate Formula: C30H31N3O6S MolecularWeight: 561.64864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2N(C(CO2)C3=CC=CC=C3)C(=C([N+]#N)SOOC4=CC=CC=C4)[O-])OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)CC2N(C(CO2)C3=CC=CC=C3)/C(=C(/[N+]#N)\SOOC4=CC=CC=C4)/[O-])OC5CCCC5

InChI

InChI=1S/C30H31N3O6S/c1-35-26-17-16-21(18-27(26)37-23-12-8-9-13-23)19-28-33(25(20-36-28)22-10-4-2-5-11-22)30(34)29(32-31)40-39-38-24-14-6-3-7-15-24/h2-7,10-11,14-18,23,25,28H,8-9,12-13,19-20H2,1H3/b30-29+