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

Systemtic Name: 2-butoxycarbonyl-4-(3-butoxycarbonyl-4-carboxy-phenyl)sulfonyl-benzoic acid Openeye Name: 2-butoxycarbonyl-4-(3-butoxycarbonyl-4-carboxy-phenyl)sulfonyl-benzoic acid CAS Name: 2-[butoxy(oxo)methyl]-4-[3-[butoxy(oxo)methyl]-4-carboxyphenyl]sulfonylbenzoic acid IUPAC Name: 2-butoxycarbonyl-4-(3-butoxycarbonyl-4-carboxyphenyl)sulfonylbenzoic acid Traditional Name: 2-butoxycarbonyl-4-(3-butoxycarbonyl-4-carboxy-phenyl)sulfonyl-benzoic acid Formula: C24H26O10S MolecularWeight: 506.52224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)OCCCC)C(=O)O

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)OCCCC)C(=O)O

InChI

InChI=1S/C24H26O10S/c1-3-5-11-33-23(29)19-13-15(7-9-17(19)21(25)26)35(31,32)16-8-10-18(22(27)28)20(14-16)24(30)34-12-6-4-2/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,25,26)(H,27,28)