[(E)-7-bicyclo[4.2.0]octa-1,3,5-trienylideneamino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-7-bicyclo[4.2.0]octa-1,3,5-trienylideneamino] 4-methylbenzenesulfonate Openeye Name: [(E)-7-bicyclo[4.2.0]octa-1,3,5-trienylideneamino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-7-bicyclo[4.2.0]octa-1,3,5-trienylideneamino] ester IUPAC Name: [(E)-7-bicyclo[4.2.0]octa-1,3,5-trienylideneamino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-7-bicyclo[4.2.0]octa-1,3,5-trienylideneamino] ester Formula: C15H13NO3S MolecularWeight: 287.33362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C2CC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C/2\CC3=CC=CC=C32

InChI

InChI=1S/C15H13NO3S/c1-11-6-8-13(9-7-11)20(17,18)19-16-15-10-12-4-2-3-5-14(12)15/h2-9H,10H2,1H3/b16-15+