3-chloranyl-4-(4-cyclohexylphenyl)sulfonyloxy-5-methoxy-benzoic acid

Systemtic Name: 3-chloranyl-4-(4-cyclohexylphenyl)sulfonyloxy-5-methoxy-benzoic acid Openeye Name: 3-chloro-4-(4-cyclohexylphenyl)sulfonyloxy-5-methoxy-benzoic acid CAS Name: 3-chloro-4-(4-cyclohexylphenyl)sulfonyloxy-5-methoxybenzoic acid IUPAC Name: 3-chloro-4-(4-cyclohexylphenyl)sulfonyloxy-5-methoxybenzoic acid Traditional Name: 3-chloro-4-(4-cyclohexylphenyl)sulfonyloxy-5-methoxy-benzoic acid Formula: C20H21ClO6S MolecularWeight: 424.89514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)Cl)OS(=O)(=O)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Cl)OS(=O)(=O)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C20H21ClO6S/c1-26-18-12-15(20(22)23)11-17(21)19(18)27-28(24,25)16-9-7-14(8-10-16)13-5-3-2-4-6-13/h7-13H,2-6H2,1H3,(H,22,23)