[2-(1,3-benzoxazol-2-yl)-4-methyl-phenyl] ethanesulfonate

Systemtic Name: [2-(1,3-benzoxazol-2-yl)-4-methyl-phenyl] ethanesulfonate Openeye Name: [2-(1,3-benzoxazol-2-yl)-4-methyl-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-(1,3-benzoxazol-2-yl)-4-methylphenyl] ester IUPAC Name: [2-(1,3-benzoxazol-2-yl)-4-methylphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-(1,3-benzoxazol-2-yl)-4-methyl-phenyl] ester Formula: C16H15NO4S MolecularWeight: 317.3596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)C)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)C)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C16H15NO4S/c1-3-22(18,19)21-14-9-8-11(2)10-12(14)16-17-13-6-4-5-7-15(13)20-16/h4-10H,3H2,1-2H3