2-(trichloromethyl)-3,4-dihydro-2H-1,3-benzoxazine-6-sulfonic acid

Systemtic Name: 2-(trichloromethyl)-3,4-dihydro-2H-1,3-benzoxazine-6-sulfonic acid Openeye Name: 2-(trichloromethyl)-3,4-dihydro-2H-1,3-benzoxazine-6-sulfonic acid CAS Name: 2-(trichloromethyl)-3,4-dihydro-2H-1,3-benzoxazine-6-sulfonic acid IUPAC Name: 2-(trichloromethyl)-3,4-dihydro-2H-1,3-benzoxazine-6-sulfonic acid Traditional Name: 2-(trichloromethyl)-3,4-dihydro-2H-1,3-benzoxazine-6-sulfonic acid Formula: C9H8Cl3NO4S MolecularWeight: 332.58812

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)S(=O)(=O)O)OC(N1)C(Cl)(Cl)Cl

Isomeric SMILES

C1C2=C(C=CC(=C2)S(=O)(=O)O)OC(N1)C(Cl)(Cl)Cl

InChI

InChI=1S/C9H8Cl3NO4S/c10-9(11,12)8-13-4-5-3-6(18(14,15)16)1-2-7(5)17-8/h1-3,8,13H,4H2,(H,14,15,16)