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

Systemtic Name: 4-(4-carboxy-3-methoxycarbonyl-phenyl)sulfonyl-2-methoxycarbonyl-benzoic acid Openeye Name: 4-(4-carboxy-3-methoxycarbonyl-phenyl)sulfonyl-2-methoxycarbonyl-benzoic acid CAS Name: 4-(4-carboxy-3-methoxycarbonylphenyl)sulfonyl-2-methoxycarbonylbenzoic acid IUPAC Name: 4-(4-carboxy-3-methoxycarbonylphenyl)sulfonyl-2-methoxycarbonylbenzoic acid Traditional Name: 2-carbomethoxy-4-(3-carbomethoxy-4-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=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)OC)C(=O)O

Isomeric SMILES

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

InChI

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