4-butoxycarbonyl-3-(2-butoxycarbonyl-5-carboxy-phenyl)carbonyloxycarbonyl-benzoic acid

Systemtic Name: 4-butoxycarbonyl-3-(2-butoxycarbonyl-5-carboxy-phenyl)carbonyloxycarbonyl-benzoic acid Openeye Name: 4-butoxycarbonyl-3-(2-butoxycarbonyl-5-carboxy-benzoyl)oxycarbonyl-benzoic acid CAS Name: 4-[butoxy(oxo)methyl]-3-[[[2-[butoxy(oxo)methyl]-5-carboxyphenyl]-oxomethoxy]-oxomethyl]benzoic acid IUPAC Name: 4-butoxycarbonyl-3-(2-butoxycarbonyl-5-carboxybenzoyl)oxycarbonylbenzoic acid Traditional Name: 4-butoxycarbonyl-3-(2-butoxycarbonyl-5-carboxy-benzoyl)oxycarbonyl-benzoic acid Formula: C26H26O11 MolecularWeight: 514.47804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26O11/c1-3-5-11-35-23(31)17-9-7-15(21(27)28)13-19(17)25(33)37-26(34)20-14-16(22(29)30)8-10-18(20)24(32)36-12-6-4-2/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,27,28)(H,29,30)