phenyl 3-chloranyl-2-[4-(2-chloranyl-3-methyl-hexanoyl)oxyphenyl]-4-nonanoyloxy-benzoate

Systemtic Name: phenyl 3-chloranyl-2-[4-(2-chloranyl-3-methyl-hexanoyl)oxyphenyl]-4-nonanoyloxy-benzoate Openeye Name: phenyl 3-chloro-2-[4-(2-chloro-3-methyl-hexanoyl)oxyphenyl]-4-nonanoyloxy-benzoate CAS Name: 3-chloro-2-[4-(2-chloro-3-methyl-1-oxohexoxy)phenyl]-4-(1-oxononoxy)benzoic acid phenyl ester IUPAC Name: phenyl 3-chloro-2-[4-(2-chloro-3-methylhexanoyl)oxyphenyl]-4-nonanoyloxybenzoate Traditional Name: 3-chloro-2-[4-(2-chloro-3-methyl-hexanoyl)oxyphenyl]-4-pelargonyloxy-benzoic acid phenyl ester Formula: C35H40Cl2O6 MolecularWeight: 627.5945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C(C(C)CCC)Cl)Cl

Isomeric SMILES

CCCCCCCCC(=O)OC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C(C(C)CCC)Cl)Cl

InChI

InChI=1S/C35H40Cl2O6/c1-4-6-7-8-9-13-17-30(38)43-29-23-22-28(34(39)41-26-15-11-10-12-16-26)31(33(29)37)25-18-20-27(21-19-25)42-35(40)32(36)24(3)14-5-2/h10-12,15-16,18-24,32H,4-9,13-14,17H2,1-3H3