[4-[3-fluoranyl-4-[(4S)-4-methylhexoxy]phenyl]phenyl] dodecanoate

Systemtic Name: [4-[3-fluoranyl-4-[(4S)-4-methylhexoxy]phenyl]phenyl] dodecanoate Openeye Name: [4-[3-fluoro-4-[(4S)-4-methylhexoxy]phenyl]phenyl] dodecanoate CAS Name: dodecanoic acid [4-[3-fluoro-4-[(4S)-4-methylhexoxy]phenyl]phenyl] ester IUPAC Name: [4-[3-fluoro-4-[(4S)-4-methylhexoxy]phenyl]phenyl] dodecanoate Traditional Name: lauric acid [4-[3-fluoro-4-[(4S)-4-methylhexoxy]phenyl]phenyl] ester Formula: C31H45FO3 MolecularWeight: 484.685603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC(=C(C=C2)OCCCC(C)CC)F

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC(=C(C=C2)OCCC[C@@H](C)CC)F

InChI

InChI=1S/C31H45FO3/c1-4-6-7-8-9-10-11-12-13-16-31(33)35-28-20-17-26(18-21-28)27-19-22-30(29(32)24-27)34-23-14-15-25(3)5-2/h17-22,24-25H,4-16,23H2,1-3H3/t25-/m0/s1