1-[2-fluoranyl-4-(4-nonanoylphenyl)phenoxy]propan-2-yl 4-methylhexanoate

Systemtic Name: 1-[2-fluoranyl-4-(4-nonanoylphenyl)phenoxy]propan-2-yl 4-methylhexanoate Openeye Name: [2-[2-fluoro-4-(4-nonanoylphenyl)phenoxy]-1-methyl-ethyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid 1-[2-fluoro-4-[4-(1-oxononyl)phenyl]phenoxy]propan-2-yl ester IUPAC Name: 1-[2-fluoro-4-(4-nonanoylphenyl)phenoxy]propan-2-yl 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-[2-fluoro-4-(4-pelargonylphenyl)phenoxy]-1-methyl-ethyl] ester Formula: C31H43FO4 MolecularWeight: 498.669123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)OCC(C)OC(=O)CCC(C)CC)F

Isomeric SMILES

CCCCCCCCC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)OCC(C)OC(=O)CCC(C)CC)F

InChI

InChI=1S/C31H43FO4/c1-5-7-8-9-10-11-12-29(33)26-16-14-25(15-17-26)27-18-19-30(28(32)21-27)35-22-24(4)36-31(34)20-13-23(3)6-2/h14-19,21,23-24H,5-13,20,22H2,1-4H3