3-[5-(3-carboxyphenyl)carbonyloxy-4-methyl-pentoxy]carbonylbenzoic acid

Systemtic Name: 3-[5-(3-carboxyphenyl)carbonyloxy-4-methyl-pentoxy]carbonylbenzoic acid Openeye Name: 3-[5-(3-carboxybenzoyl)oxy-4-methyl-pentoxy]carbonylbenzoic acid CAS Name: 3-[[5-[(3-carboxyphenyl)-oxomethoxy]-4-methylpentoxy]-oxomethyl]benzoic acid IUPAC Name: 3-[5-(3-carboxybenzoyl)oxy-4-methylpentoxy]carbonylbenzoic acid Traditional Name: 3-[5-(3-carboxybenzoyl)oxy-4-methyl-pentoxy]carbonylbenzoic acid Formula: C22H22O8 MolecularWeight: 414.40528

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCOC(=O)C1=CC=CC(=C1)C(=O)O)COC(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(CCCOC(=O)C1=CC=CC(=C1)C(=O)O)COC(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C22H22O8/c1-14(13-30-22(28)18-9-3-7-16(12-18)20(25)26)5-4-10-29-21(27)17-8-2-6-15(11-17)19(23)24/h2-3,6-9,11-12,14H,4-5,10,13H2,1H3,(H,23,24)(H,25,26)