3-[5,6-bis(chloranyl)-1,3-benzoxazol-2-yl]propane-1-sulfonic acid

Systemtic Name: 3-[5,6-bis(chloranyl)-1,3-benzoxazol-2-yl]propane-1-sulfonic acid Openeye Name: 3-(5,6-dichloro-1,3-benzoxazol-2-yl)propane-1-sulfonic acid CAS Name: 3-(5,6-dichloro-1,3-benzoxazol-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(5,6-dichloro-1,3-benzoxazol-2-yl)propane-1-sulfonic acid Traditional Name: 3-(5,6-dichloro-1,3-benzoxazol-2-yl)propane-1-sulfonic acid Formula: C10H9Cl2NO4S MolecularWeight: 310.15376

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1Cl)Cl)OC(=N2)CCCS(=O)(=O)O

Isomeric SMILES

C1=C2C(=CC(=C1Cl)Cl)OC(=N2)CCCS(=O)(=O)O

InChI

InChI=1S/C10H9Cl2NO4S/c11-6-4-8-9(5-7(6)12)17-10(13-8)2-1-3-18(14,15)16/h4-5H,1-3H2,(H,14,15,16)