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

Systemtic Name: 4-(4-carboxy-3-propoxycarbonyl-phenyl)sulfonyl-2-propoxycarbonyl-benzoic acid Openeye Name: 4-(4-carboxy-3-propoxycarbonyl-phenyl)sulfonyl-2-propoxycarbonyl-benzoic acid CAS Name: 4-[4-carboxy-3-[oxo(propoxy)methyl]phenyl]sulfonyl-2-[oxo(propoxy)methyl]benzoic acid IUPAC Name: 4-(4-carboxy-3-propoxycarbonylphenyl)sulfonyl-2-propoxycarbonylbenzoic acid Traditional Name: 4-(4-carboxy-3-propoxycarbonyl-phenyl)sulfonyl-2-propoxycarbonyl-benzoic acid Formula: C22H22O10S MolecularWeight: 478.46908

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)OCCC)C(=O)O

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)OCCC)C(=O)O

InChI

InChI=1S/C22H22O10S/c1-3-9-31-21(27)17-11-13(5-7-15(17)19(23)24)33(29,30)14-6-8-16(20(25)26)18(12-14)22(28)32-10-4-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,24)(H,25,26)