2-chloranyl-4-methyl-5-[3-(4-nonanoyloxyphenyl)phenyl]pentanoic acid

Systemtic Name: 2-chloranyl-4-methyl-5-[3-(4-nonanoyloxyphenyl)phenyl]pentanoic acid Openeye Name: 2-chloro-4-methyl-5-[3-(4-nonanoyloxyphenyl)phenyl]pentanoic acid CAS Name: 2-chloro-4-methyl-5-[3-[4-(1-oxononoxy)phenyl]phenyl]pentanoic acid IUPAC Name: 2-chloro-4-methyl-5-[3-(4-nonanoyloxyphenyl)phenyl]pentanoic acid Traditional Name: 2-chloro-4-methyl-5-[3-(4-pelargonyloxyphenyl)phenyl]valeric acid Formula: C27H35ClO4 MolecularWeight: 459.0174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC(=CC=C2)CC(C)CC(C(=O)O)Cl

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC(=CC=C2)CC(C)CC(C(=O)O)Cl

InChI

InChI=1S/C27H35ClO4/c1-3-4-5-6-7-8-12-26(29)32-24-15-13-22(14-16-24)23-11-9-10-21(19-23)17-20(2)18-25(28)27(30)31/h9-11,13-16,19-20,25H,3-8,12,17-18H2,1-2H3,(H,30,31)