5-chloranyl-2-methoxy-3-propan-2-ylsulfonyl-benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-3-propan-2-ylsulfonyl-benzoic acid Openeye Name: 5-chloro-3-isopropylsulfonyl-2-methoxy-benzoic acid CAS Name: 5-chloro-2-methoxy-3-propan-2-ylsulfonylbenzoic acid IUPAC Name: 5-chloro-2-methoxy-3-propan-2-ylsulfonylbenzoic acid Traditional Name: 5-chloro-3-isopropylsulfonyl-2-methoxy-benzoic acid Formula: C11H13ClO5S MolecularWeight: 292.73592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC

InChI

InChI=1S/C11H13ClO5S/c1-6(2)18(15,16)9-5-7(12)4-8(11(13)14)10(9)17-3/h4-6H,1-3H3,(H,13,14)