4-ethyl-3-propan-2-ylsulfonyl-benzoic acid

Systemtic Name: 4-ethyl-3-propan-2-ylsulfonyl-benzoic acid Openeye Name: 4-ethyl-3-isopropylsulfonyl-benzoic acid CAS Name: 4-ethyl-3-propan-2-ylsulfonylbenzoic acid IUPAC Name: 4-ethyl-3-propan-2-ylsulfonylbenzoic acid Traditional Name: 4-ethyl-3-isopropylsulfonyl-benzoic acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C(C)C

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C(C)C

InChI

InChI=1S/C12H16O4S/c1-4-9-5-6-10(12(13)14)7-11(9)17(15,16)8(2)3/h5-8H,4H2,1-3H3,(H,13,14)