[4-(4-hydroxyphenyl)phenyl] 3-chloranyl-4-octoxy-benzoate

Systemtic Name: [4-(4-hydroxyphenyl)phenyl] 3-chloranyl-4-octoxy-benzoate Openeye Name: [4-(4-hydroxyphenyl)phenyl] 3-chloro-4-octoxy-benzoate CAS Name: 3-chloro-4-octoxybenzoic acid [4-(4-hydroxyphenyl)phenyl] ester IUPAC Name: [4-(4-hydroxyphenyl)phenyl] 3-chloro-4-octoxybenzoate Traditional Name: 3-chloro-4-octoxy-benzoic acid [4-(4-hydroxyphenyl)phenyl] ester Formula: C27H29ClO4 MolecularWeight: 452.96976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)O)Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)O)Cl

InChI

InChI=1S/C27H29ClO4/c1-2-3-4-5-6-7-18-31-26-17-12-22(19-25(26)28)27(30)32-24-15-10-21(11-16-24)20-8-13-23(29)14-9-20/h8-17,19,29H,2-7,18H2,1H3