[4-[3-chloranyl-4-[(2S)-octan-2-yl]oxy-phenyl]phenyl] nonanoate

Systemtic Name: [4-[3-chloranyl-4-[(2S)-octan-2-yl]oxy-phenyl]phenyl] nonanoate Openeye Name: [4-[3-chloro-4-[(1S)-1-methylheptoxy]phenyl]phenyl] nonanoate CAS Name: nonanoic acid [4-[3-chloro-4-[(2S)-octan-2-yl]oxyphenyl]phenyl] ester IUPAC Name: [4-[3-chloro-4-[(2S)-octan-2-yl]oxyphenyl]phenyl] nonanoate Traditional Name: pelargonic acid [4-[3-chloro-4-[(1S)-1-methylheptoxy]phenyl]phenyl] ester Formula: C29H41ClO3 MolecularWeight: 473.08704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC(=C(C=C2)O[C@@H](C)CCCCCC)Cl

InChI

InChI=1S/C29H41ClO3/c1-4-6-8-10-11-13-15-29(31)33-26-19-16-24(17-20-26)25-18-21-28(27(30)22-25)32-23(3)14-12-9-7-5-2/h16-23H,4-15H2,1-3H3/t23-/m0/s1