[(2S,5E)-5-[3,5-bis-(4-methylphenyl)sulfonyloxyphenoxy]imino-1-methoxy-1-oxidanylidene-pentan-2-yl] benzoate

Systemtic Name: [(2S,5E)-5-[3,5-bis-(4-methylphenyl)sulfonyloxyphenoxy]imino-1-methoxy-1-oxidanylidene-pentan-2-yl] benzoate Openeye Name: [(1S,4E)-4-[3,5-bis(p-tolylsulfonyloxy)phenoxy]imino-1-methoxycarbonyl-butyl] benzoate CAS Name: benzoic acid [(2S,5E)-5-[3,5-bis-(4-methylphenyl)sulfonyloxyphenoxy]imino-1-methoxy-1-oxopentan-2-yl] ester IUPAC Name: [(2S,5E)-5-[3,5-bis-(4-methylphenyl)sulfonyloxyphenoxy]imino-1-methoxy-1-oxopentan-2-yl] benzoate Traditional Name: benzoic acid [(1S,4E)-1-carbomethoxy-4-(3,5-ditosyloxyphenyl)oximino-butyl] ester Formula: C33H31NO11S2 MolecularWeight: 681.72934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2)ON=CCCC(C(=O)OC)OC(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2)O/N=C/CC[C@@H](C(=O)OC)OC(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C33H31NO11S2/c1-23-11-15-29(16-12-23)46(37,38)44-27-20-26(21-28(22-27)45-47(39,40)30-17-13-24(2)14-18-30)43-34-19-7-10-31(33(36)41-3)42-32(35)25-8-5-4-6-9-25/h4-6,8-9,11-22,31H,7,10H2,1-3H3/b34-19+/t31-/m0/s1