[4-[4-[(2S)-2-chloranyl-3-methyl-pentanoyl]oxyphenyl]phenyl] octanoate

Systemtic Name: [4-[4-[(2S)-2-chloranyl-3-methyl-pentanoyl]oxyphenyl]phenyl] octanoate Openeye Name: [4-[4-[(2S)-2-chloro-3-methyl-pentanoyl]oxyphenyl]phenyl] octanoate CAS Name: octanoic acid [4-[4-[(2S)-2-chloro-3-methyl-1-oxopentoxy]phenyl]phenyl] ester IUPAC Name: [4-[4-[(2S)-2-chloro-3-methylpentanoyl]oxyphenyl]phenyl] octanoate Traditional Name: caprylic acid [4-[4-[(2S)-2-chloro-3-methyl-pentanoyl]oxyphenyl]phenyl] ester Formula: C26H33ClO4 MolecularWeight: 444.99082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H33ClO4/c1-4-6-7-8-9-10-24(28)30-22-15-11-20(12-16-22)21-13-17-23(18-14-21)31-26(29)25(27)19(3)5-2/h11-19,25H,4-10H2,1-3H3/t19?,25-/m0/s1