2,1-benzoxazol-7-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: 2,1-benzoxazol-7-ylmethyl 4-methylbenzenesulfonate Openeye Name: 2,1-benzoxazol-7-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2,1-benzoxazol-7-ylmethyl ester IUPAC Name: 2,1-benzoxazol-7-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid anthranil-7-ylmethyl ester Formula: C15H13NO4S MolecularWeight: 303.33302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC3=CON=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC3=CON=C32

InChI

InChI=1S/C15H13NO4S/c1-11-5-7-14(8-6-11)21(17,18)20-10-13-4-2-3-12-9-19-16-15(12)13/h2-9H,10H2,1H3