4-[3,5-bis(methoxycarbonyl)phenyl]sulfonyloxy-3-chloranyl-5-methoxy-benzoic acid

Systemtic Name: 4-[3,5-bis(methoxycarbonyl)phenyl]sulfonyloxy-3-chloranyl-5-methoxy-benzoic acid Openeye Name: 4-[3,5-bis(methoxycarbonyl)phenyl]sulfonyloxy-3-chloro-5-methoxy-benzoic acid CAS Name: 4-[3,5-bis(methoxycarbonyl)phenyl]sulfonyloxy-3-chloro-5-methoxybenzoic acid IUPAC Name: 4-[3,5-bis(methoxycarbonyl)phenyl]sulfonyloxy-3-chloro-5-methoxybenzoic acid Traditional Name: 3-chloro-4-(3,5-dicarbomethoxyphenyl)sulfonyloxy-5-methoxy-benzoic acid Formula: C18H15ClO10S MolecularWeight: 458.8237

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClO10S/c1-26-14-8-9(16(20)21)7-13(19)15(14)29-30(24,25)12-5-10(17(22)27-2)4-11(6-12)18(23)28-3/h4-8H,1-3H3,(H,20,21)