4-bromanyl-2-ethyl-5-sulfino-benzoic acid

Systemtic Name: 4-bromanyl-2-ethyl-5-sulfino-benzoic acid Openeye Name: 4-bromo-2-ethyl-5-sulfino-benzoic acid CAS Name: 4-bromo-2-ethyl-5-sulfinobenzoic acid IUPAC Name: 4-bromo-2-ethyl-5-sulfinobenzoic acid Traditional Name: 4-bromo-2-ethyl-5-sulfino-benzoic acid Formula: C9H9BrO4S MolecularWeight: 293.13436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)O)S(=O)O)Br

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)O)S(=O)O)Br

InChI

InChI=1S/C9H9BrO4S/c1-2-5-3-7(10)8(15(13)14)4-6(5)9(11)12/h3-4H,2H2,1H3,(H,11,12)(H,13,14)