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

Systemtic Name: [5-chloranyl-2-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl] propane-1-sulfonate Openeye Name: [5-chloro-2-(5-chloro-1,3-benzoxazol-2-yl)phenyl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [5-chloro-2-(5-chloro-1,3-benzoxazol-2-yl)phenyl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [5-chloro-2-(5-chloro-1,3-benzoxazol-2-yl)phenyl] ester Formula: C16H13Cl2NO4S MolecularWeight: 386.24972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13Cl2NO4S/c1-2-7-24(20,21)23-15-9-11(18)3-5-12(15)16-19-13-8-10(17)4-6-14(13)22-16/h3-6,8-9H,2,7H2,1H3