[2-(5-chloranyl-1,3-benzoxazol-2-yl)-4-methyl-phenyl] ethanesulfonate

Systemtic Name: [2-(5-chloranyl-1,3-benzoxazol-2-yl)-4-methyl-phenyl] ethanesulfonate Openeye Name: [2-(5-chloro-1,3-benzoxazol-2-yl)-4-methyl-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-(5-chloro-1,3-benzoxazol-2-yl)-4-methylphenyl] ester IUPAC Name: [2-(5-chloro-1,3-benzoxazol-2-yl)-4-methylphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-(5-chloro-1,3-benzoxazol-2-yl)-4-methyl-phenyl] ester Formula: C16H14ClNO4S MolecularWeight: 351.80466

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)C)C2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)C)C2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C16H14ClNO4S/c1-3-23(19,20)22-14-6-4-10(2)8-12(14)16-18-13-9-11(17)5-7-15(13)21-16/h4-9H,3H2,1-2H3