[2-(1,3-benzothiazol-2-yl)phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [2-(1,3-benzothiazol-2-yl)phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: [2-(1,3-benzothiazol-2-yl)phenyl] 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-yl)phenyl] 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid [2-(1,3-benzothiazol-2-yl)phenyl] ester Formula: C20H14N2O5S2 MolecularWeight: 426.46556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H14N2O5S2/c1-13-10-11-14(22(23)24)12-19(13)29(25,26)27-17-8-4-2-6-15(17)20-21-16-7-3-5-9-18(16)28-20/h2-12H,1H3