2-[(2S,5S)-5-(2-carboxyphenyl)carbonyloxyhexan-2-yl]oxycarbonylbenzoic acid

Systemtic Name: 2-[(2S,5S)-5-(2-carboxyphenyl)carbonyloxyhexan-2-yl]oxycarbonylbenzoic acid Openeye Name: 2-[(1S,4S)-4-(2-carboxybenzoyl)oxy-1-methyl-pentoxy]carbonylbenzoic acid CAS Name: 2-[[(2S,5S)-5-[(2-carboxyphenyl)-oxomethoxy]hexan-2-yl]oxy-oxomethyl]benzoic acid IUPAC Name: 2-[(2S,5S)-5-(2-carboxybenzoyl)oxyhexan-2-yl]oxycarbonylbenzoic acid Traditional Name: 2-[(1S,4S)-4-(2-carboxybenzoyl)oxy-1-methyl-pentoxy]carbonylbenzoic acid Formula: C22H22O8 MolecularWeight: 414.40528

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C)OC(=O)C1=CC=CC=C1C(=O)O)OC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@@H](CC[C@H](C)OC(=O)C1=CC=CC=C1C(=O)O)OC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C22H22O8/c1-13(29-21(27)17-9-5-3-7-15(17)19(23)24)11-12-14(2)30-22(28)18-10-6-4-8-16(18)20(25)26/h3-10,13-14H,11-12H2,1-2H3,(H,23,24)(H,25,26)/t13-,14-/m0/s1