[4-(4-octoxyphenyl)phenyl] 3-chloranyl-4-octan-2-yloxy-benzoate

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-chloranyl-4-octan-2-yloxy-benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-chloro-4-(1-methylheptoxy)benzoate CAS Name: 3-chloro-4-octan-2-yloxybenzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-chloro-4-octan-2-yloxybenzoate Traditional Name: 3-chloro-4-(1-methylheptoxy)benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C35H45ClO4 MolecularWeight: 565.1824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)Cl

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)Cl

InChI

InChI=1S/C35H45ClO4/c1-4-6-8-10-11-13-25-38-31-20-15-28(16-21-31)29-17-22-32(23-18-29)40-35(37)30-19-24-34(33(36)26-30)39-27(3)14-12-9-7-5-2/h15-24,26-27H,4-14,25H2,1-3H3