2-(2-methylbutyl)-4-(2-octan-4-yloxyphenyl)carbonyloxy-benzoic acid

Systemtic Name: 2-(2-methylbutyl)-4-(2-octan-4-yloxyphenyl)carbonyloxy-benzoic acid Openeye Name: 2-(2-methylbutyl)-4-[2-(1-propylpentoxy)benzoyl]oxy-benzoic acid CAS Name: 2-(2-methylbutyl)-4-[(2-octan-4-yloxyphenyl)-oxomethoxy]benzoic acid IUPAC Name: 2-(2-methylbutyl)-4-(2-octan-4-yloxybenzoyl)oxybenzoic acid Traditional Name: 2-(2-methylbutyl)-4-[2-(1-propylpentoxy)benzoyl]oxy-benzoic acid Formula: C27H36O5 MolecularWeight: 440.57174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)OC1=CC=CC=C1C(=O)OC2=CC(=C(C=C2)C(=O)O)CC(C)CC

Isomeric SMILES

CCCCC(CCC)OC1=CC=CC=C1C(=O)OC2=CC(=C(C=C2)C(=O)O)CC(C)CC

InChI

InChI=1S/C27H36O5/c1-5-8-12-21(11-6-2)31-25-14-10-9-13-24(25)27(30)32-22-15-16-23(26(28)29)20(18-22)17-19(4)7-3/h9-10,13-16,18-19,21H,5-8,11-12,17H2,1-4H3,(H,28,29)