4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]-2-(2-nonanoyloxyphenyl)benzoic acid

Systemtic Name: 4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]-2-(2-nonanoyloxyphenyl)benzoic acid Openeye Name: 4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]-2-(2-nonanoyloxyphenyl)benzoic acid CAS Name: 4-[4-(2-chloro-3-methyl-1-oxobutoxy)phenyl]-2-[2-(1-oxononoxy)phenyl]benzoic acid IUPAC Name: 4-[4-(2-chloro-3-methylbutanoyl)oxyphenyl]-2-(2-nonanoyloxyphenyl)benzoic acid Traditional Name: 4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]-2-(2-pelargonyloxyphenyl)benzoic acid Formula: C33H37ClO6 MolecularWeight: 565.09628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=CC=C1C2=C(C=CC(=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)C(=O)O

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=CC=C1C2=C(C=CC(=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)C(=O)O

InChI

InChI=1S/C33H37ClO6/c1-4-5-6-7-8-9-14-30(35)40-29-13-11-10-12-26(29)28-21-24(17-20-27(28)32(36)37)23-15-18-25(19-16-23)39-33(38)31(34)22(2)3/h10-13,15-22,31H,4-9,14H2,1-3H3,(H,36,37)