3-chloranyl-5-methoxy-4-(2,3,4,5,6-pentamethylphenyl)sulfonyloxy-benzoic acid

Systemtic Name: 3-chloranyl-5-methoxy-4-(2,3,4,5,6-pentamethylphenyl)sulfonyloxy-benzoic acid Openeye Name: 3-chloro-5-methoxy-4-(2,3,4,5,6-pentamethylphenyl)sulfonyloxy-benzoic acid CAS Name: 3-chloro-5-methoxy-4-(2,3,4,5,6-pentamethylphenyl)sulfonyloxybenzoic acid IUPAC Name: 3-chloro-5-methoxy-4-(2,3,4,5,6-pentamethylphenyl)sulfonyloxybenzoic acid Traditional Name: 3-chloro-5-methoxy-4-(2,3,4,5,6-pentamethylphenyl)sulfonyloxy-benzoic acid Formula: C19H21ClO6S MolecularWeight: 412.88444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)OC2=C(C=C(C=C2Cl)C(=O)O)OC)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)OC2=C(C=C(C=C2Cl)C(=O)O)OC)C)C

InChI

InChI=1S/C19H21ClO6S/c1-9-10(2)12(4)18(13(5)11(9)3)27(23,24)26-17-15(20)7-14(19(21)22)8-16(17)25-6/h7-8H,1-6H3,(H,21,22)