[4-[3-chloranyl-4-[(2S)-2-methylbutoxy]phenyl]phenyl] nonanoate

Systemtic Name: [4-[3-chloranyl-4-[(2S)-2-methylbutoxy]phenyl]phenyl] nonanoate Openeye Name: [4-[3-chloro-4-[(2S)-2-methylbutoxy]phenyl]phenyl] nonanoate CAS Name: nonanoic acid [4-[3-chloro-4-[(2S)-2-methylbutoxy]phenyl]phenyl] ester IUPAC Name: [4-[3-chloro-4-[(2S)-2-methylbutoxy]phenyl]phenyl] nonanoate Traditional Name: pelargonic acid [4-[3-chloro-4-[(2S)-2-methylbutoxy]phenyl]phenyl] ester Formula: C26H35ClO3 MolecularWeight: 431.0073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35ClO3/c1-4-6-7-8-9-10-11-26(28)30-23-15-12-21(13-16-23)22-14-17-25(24(27)18-22)29-19-20(3)5-2/h12-18,20H,4-11,19H2,1-3H3/t20-/m0/s1