2-[2-(2-chloranyl-3-methyl-pentoxy)carbonylphenyl]-4-(4-nonanoyloxyphenyl)benzoic acid

Systemtic Name: 2-[2-(2-chloranyl-3-methyl-pentoxy)carbonylphenyl]-4-(4-nonanoyloxyphenyl)benzoic acid Openeye Name: 2-[2-(2-chloro-3-methyl-pentoxy)carbonylphenyl]-4-(4-nonanoyloxyphenyl)benzoic acid CAS Name: 2-[2-[(2-chloro-3-methylpentoxy)-oxomethyl]phenyl]-4-[4-(1-oxononoxy)phenyl]benzoic acid IUPAC Name: 2-[2-(2-chloro-3-methylpentoxy)carbonylphenyl]-4-(4-nonanoyloxyphenyl)benzoic acid Traditional Name: 2-[2-(2-chloro-3-methyl-pentoxy)carbonylphenyl]-4-(4-pelargonyloxyphenyl)benzoic acid Formula: C35H41ClO6 MolecularWeight: 593.14944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3C(=O)OCC(C(C)CC)Cl

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)C3=CC=CC=C3C(=O)OCC(C(C)CC)Cl

InChI

InChI=1S/C35H41ClO6/c1-4-6-7-8-9-10-15-33(37)42-27-19-16-25(17-20-27)26-18-21-29(34(38)39)31(22-26)28-13-11-12-14-30(28)35(40)41-23-32(36)24(3)5-2/h11-14,16-22,24,32H,4-10,15,23H2,1-3H3,(H,38,39)