[4-(3-chloranyl-3-methyl-butanoyl)oxyphenyl] 4-octoxybenzoate

Systemtic Name: [4-(3-chloranyl-3-methyl-butanoyl)oxyphenyl] 4-octoxybenzoate Openeye Name: [4-(3-chloro-3-methyl-butanoyl)oxyphenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [4-(3-chloro-3-methyl-1-oxobutoxy)phenyl] ester IUPAC Name: [4-(3-chloro-3-methylbutanoyl)oxyphenyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-(3-chloro-3-methyl-butanoyl)oxyphenyl] ester Formula: C26H33ClO5 MolecularWeight: 460.99022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33ClO5/c1-4-5-6-7-8-9-18-30-21-12-10-20(11-13-21)25(29)32-23-16-14-22(15-17-23)31-24(28)19-26(2,3)27/h10-17H,4-9,18-19H2,1-3H3