4-(2-chloroethyloxysulfonyl)benzoic acid; sodium

Systemtic Name: 4-(2-chloroethyloxysulfonyl)benzoic acid; sodium Openeye Name: 4-(2-chloroethoxysulfonyl)benzoic acid; sodium CAS Name: 4-(2-chloroethoxysulfonyl)benzoic acid; sodium IUPAC Name: 4-(2-chloroethoxysulfonyl)benzoic acid; sodium Traditional Name: 4-(2-chloroethoxysulfonyl)benzoic acid; sodium Formula: C9H9ClNaO5S MolecularWeight: 287.67253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)S(=O)(=O)OCCCl.[Na]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)S(=O)(=O)OCCCl.[Na]

InChI

InChI=1S/C9H9ClO5S.Na/c10-5-6-15-16(13,14)8-3-1-7(2-4-8)9(11)12;/h1-4H,5-6H2,(H,11,12);