5-chloranyl-3-(cyclopropylmethylsulfonyl)-2-methoxy-benzoic acid

Systemtic Name: 5-chloranyl-3-(cyclopropylmethylsulfonyl)-2-methoxy-benzoic acid Openeye Name: 5-chloro-3-(cyclopropylmethylsulfonyl)-2-methoxy-benzoic acid CAS Name: 5-chloro-3-(cyclopropylmethylsulfonyl)-2-methoxybenzoic acid IUPAC Name: 5-chloro-3-(cyclopropylmethylsulfonyl)-2-methoxybenzoic acid Traditional Name: 5-chloro-3-(cyclopropylmethylsulfonyl)-2-methoxy-benzoic acid Formula: C12H13ClO5S MolecularWeight: 304.74662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)O)Cl)S(=O)(=O)CC2CC2

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)O)Cl)S(=O)(=O)CC2CC2

InChI

InChI=1S/C12H13ClO5S/c1-18-11-9(12(14)15)4-8(13)5-10(11)19(16,17)6-7-2-3-7/h4-5,7H,2-3,6H2,1H3,(H,14,15)