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

Systemtic Name: [5-chloranyl-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl] propane-1-sulfonate Openeye Name: [5-chloro-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [5-chloro-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [5-chloro-2-(4-methyl-1,3-benzoxazol-2-yl)phenyl] ester Formula: C17H16ClNO4S MolecularWeight: 365.83124

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=C(C=CC(=C1)Cl)C2=NC3=C(C=CC=C3O2)C

Isomeric SMILES

CCCS(=O)(=O)OC1=C(C=CC(=C1)Cl)C2=NC3=C(C=CC=C3O2)C

InChI

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