(4-octoxyphenyl) 3-chloranyl-4-(2-octan-4-yloxyphenyl)carbonyloxy-benzoate

Systemtic Name: (4-octoxyphenyl) 3-chloranyl-4-(2-octan-4-yloxyphenyl)carbonyloxy-benzoate Openeye Name: (4-octoxyphenyl) 3-chloro-4-[2-(1-propylpentoxy)benzoyl]oxy-benzoate CAS Name: 3-chloro-4-[(2-octan-4-yloxyphenyl)-oxomethoxy]benzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 3-chloro-4-(2-octan-4-yloxybenzoyl)oxybenzoate Traditional Name: 3-chloro-4-[2-(1-propylpentoxy)benzoyl]oxy-benzoic acid (4-octoxyphenyl) ester Formula: C36H45ClO6 MolecularWeight: 609.1919

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3OC(CCC)CCCC)Cl

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3OC(CCC)CCCC)Cl

InChI

InChI=1S/C36H45ClO6/c1-4-7-9-10-11-14-25-40-28-20-22-30(23-21-28)42-35(38)27-19-24-34(32(37)26-27)43-36(39)31-17-12-13-18-33(31)41-29(15-6-3)16-8-5-2/h12-13,17-24,26,29H,4-11,14-16,25H2,1-3H3