[5-chloranyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] propane-1-sulfonate

Systemtic Name: [5-chloranyl-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] propane-1-sulfonate Openeye Name: [5-chloro-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [5-chloro-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [5-chloro-2-(5-methyl-1,3-benzoxazol-2-yl)phenyl] ester Formula: C17H16ClNO4S MolecularWeight: 365.83124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO4S/c1-3-8-24(20,21)23-16-10-12(18)5-6-13(16)17-19-14-9-11(2)4-7-15(14)22-17/h4-7,9-10H,3,8H2,1-2H3