4-chloranyl-2-isocyanatosulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-2-isocyanatosulfonyl-benzoic acid Openeye Name: 4-chloro-2-isocyanatosulfonyl-benzoic acid CAS Name: 4-chloro-2-isocyanatosulfonylbenzoic acid IUPAC Name: 4-chloro-2-isocyanatosulfonylbenzoic acid Traditional Name: 4-chloro-2-isocyanatosulfonyl-benzoic acid Formula: C8H4ClNO5S MolecularWeight: 261.63906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)S(=O)(=O)N=C=O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)S(=O)(=O)N=C=O)C(=O)O

InChI

InChI=1S/C8H4ClNO5S/c9-5-1-2-6(8(12)13)7(3-5)16(14,15)10-4-11/h1-3H,(H,12,13)