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

Systemtic Name: 4-(4-carboxy-3-ethoxycarbonyl-phenyl)sulfonyl-2-ethoxycarbonyl-benzoic acid Openeye Name: 4-(4-carboxy-3-ethoxycarbonyl-phenyl)sulfonyl-2-ethoxycarbonyl-benzoic acid CAS Name: 4-(4-carboxy-3-ethoxycarbonylphenyl)sulfonyl-2-ethoxycarbonylbenzoic acid IUPAC Name: 4-(4-carboxy-3-ethoxycarbonylphenyl)sulfonyl-2-ethoxycarbonylbenzoic acid Traditional Name: 2-carbethoxy-4-(3-carbethoxy-4-carboxy-phenyl)sulfonyl-benzoic acid Formula: C20H18O10S MolecularWeight: 450.41592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)OCC)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)OCC)C(=O)O

InChI

InChI=1S/C20H18O10S/c1-3-29-19(25)15-9-11(5-7-13(15)17(21)22)31(27,28)12-6-8-14(18(23)24)16(10-12)20(26)30-4-2/h5-10H,3-4H2,1-2H3,(H,21,22)(H,23,24)