5-(3-carboxy-4-methoxycarbonyl-phenyl)sulfonyl-2-methoxycarbonyl-benzoic acid

Systemtic Name: 5-(3-carboxy-4-methoxycarbonyl-phenyl)sulfonyl-2-methoxycarbonyl-benzoic acid Openeye Name: 5-(3-carboxy-4-methoxycarbonyl-phenyl)sulfonyl-2-methoxycarbonyl-benzoic acid CAS Name: 5-(3-carboxy-4-methoxycarbonylphenyl)sulfonyl-2-methoxycarbonylbenzoic acid IUPAC Name: 5-(3-carboxy-4-methoxycarbonylphenyl)sulfonyl-2-methoxycarbonylbenzoic acid Traditional Name: 2-carbomethoxy-5-(4-carbomethoxy-3-carboxy-phenyl)sulfonyl-benzoic acid Formula: C18H14O10S MolecularWeight: 422.36276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)C(=O)OC)C(=O)O)C(=O)O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)C(=O)OC)C(=O)O)C(=O)O

InChI

InChI=1S/C18H14O10S/c1-27-17(23)11-5-3-9(7-13(11)15(19)20)29(25,26)10-4-6-12(18(24)28-2)14(8-10)16(21)22/h3-8H,1-2H3,(H,19,20)(H,21,22)