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

Systemtic Name: 3-chloranyl-5-methoxy-4-(4-methoxycarbonylphenyl)sulfonyloxy-benzoic acid Openeye Name: 3-chloro-5-methoxy-4-(4-methoxycarbonylphenyl)sulfonyloxy-benzoic acid CAS Name: 3-chloro-5-methoxy-4-(4-methoxycarbonylphenyl)sulfonyloxybenzoic acid IUPAC Name: 3-chloro-5-methoxy-4-(4-methoxycarbonylphenyl)sulfonyloxybenzoic acid Traditional Name: 4-(4-carbomethoxyphenyl)sulfonyloxy-3-chloro-5-methoxy-benzoic acid Formula: C16H13ClO8S MolecularWeight: 400.78762

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClO8S/c1-23-13-8-10(15(18)19)7-12(17)14(13)25-26(21,22)11-5-3-9(4-6-11)16(20)24-2/h3-8H,1-2H3,(H,18,19)