[4-[4-(4-chloranylpentan-2-yloxy)phenyl]phenyl] 4-propylbenzoate

Systemtic Name: [4-[4-(4-chloranylpentan-2-yloxy)phenyl]phenyl] 4-propylbenzoate Openeye Name: [4-[4-(3-chloro-1-methyl-butoxy)phenyl]phenyl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [4-[4-(4-chloropentan-2-yloxy)phenyl]phenyl] ester IUPAC Name: [4-[4-(4-chloropentan-2-yloxy)phenyl]phenyl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [4-[4-(3-chloro-1-methyl-butoxy)phenyl]phenyl] ester Formula: C27H29ClO3 MolecularWeight: 436.97036

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(C)CC(C)Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(C)CC(C)Cl

InChI

InChI=1S/C27H29ClO3/c1-4-5-21-6-8-24(9-7-21)27(29)31-26-16-12-23(13-17-26)22-10-14-25(15-11-22)30-20(3)18-19(2)28/h6-17,19-20H,4-5,18H2,1-3H3