1-(4-chlorophenyl)-1-[4-(oxan-2-yloxy)phenyl]-2-phenyl-butane-1,4-diol

Systemtic Name: 1-(4-chlorophenyl)-1-[4-(oxan-2-yloxy)phenyl]-2-phenyl-butane-1,4-diol Openeye Name: 1-(4-chlorophenyl)-2-phenyl-1-(4-tetrahydropyran-2-yloxyphenyl)butane-1,4-diol CAS Name: 1-(4-chlorophenyl)-1-[4-(2-oxanyloxy)phenyl]-2-phenylbutane-1,4-diol IUPAC Name: 1-(4-chlorophenyl)-1-[4-(oxan-2-yloxy)phenyl]-2-phenylbutane-1,4-diol Traditional Name: 1-(4-chlorophenyl)-2-phenyl-1-(4-tetrahydropyran-2-yloxyphenyl)butane-1,4-diol Formula: C27H29ClO4 MolecularWeight: 452.96976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)Cl)(C(CCO)C4=CC=CC=C4)O

Isomeric SMILES

C1CCOC(C1)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)Cl)(C(CCO)C4=CC=CC=C4)O

InChI

InChI=1S/C27H29ClO4/c28-23-13-9-21(10-14-23)27(30,25(17-18-29)20-6-2-1-3-7-20)22-11-15-24(16-12-22)32-26-8-4-5-19-31-26/h1-3,6-7,9-16,25-26,29-30H,4-5,8,17-19H2