2-(2-methylbutyl)-4-(4-octoxyphenyl)carbonyloxy-benzoic acid

Systemtic Name: 2-(2-methylbutyl)-4-(4-octoxyphenyl)carbonyloxy-benzoic acid Openeye Name: 2-(2-methylbutyl)-4-(4-octoxybenzoyl)oxy-benzoic acid CAS Name: 2-(2-methylbutyl)-4-[(4-octoxyphenyl)-oxomethoxy]benzoic acid IUPAC Name: 2-(2-methylbutyl)-4-(4-octoxybenzoyl)oxybenzoic acid Traditional Name: 2-(2-methylbutyl)-4-(4-octoxybenzoyl)oxy-benzoic acid Formula: C27H36O5 MolecularWeight: 440.57174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)O)CC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)O)CC(C)CC

InChI

InChI=1S/C27H36O5/c1-4-6-7-8-9-10-17-31-23-13-11-21(12-14-23)27(30)32-24-15-16-25(26(28)29)22(19-24)18-20(3)5-2/h11-16,19-20H,4-10,17-18H2,1-3H3,(H,28,29)