[4-(4-hexan-2-yloxycarbonylphenyl)phenyl] 4-decoxy-3-fluoranyl-benzoate

Systemtic Name: [4-(4-hexan-2-yloxycarbonylphenyl)phenyl] 4-decoxy-3-fluoranyl-benzoate Openeye Name: [4-[4-(1-methylpentoxycarbonyl)phenyl]phenyl] 4-decoxy-3-fluoro-benzoate CAS Name: 4-decoxy-3-fluorobenzoic acid [4-[4-[hexan-2-yloxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-(4-hexan-2-yloxycarbonylphenyl)phenyl] 4-decoxy-3-fluorobenzoate Traditional Name: 4-decoxy-3-fluoro-benzoic acid [4-[4-(1-methylpentoxycarbonyl)phenyl]phenyl] ester Formula: C36H45FO5 MolecularWeight: 576.737903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(C)CCCC)F

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(C)CCCC)F

InChI

InChI=1S/C36H45FO5/c1-4-6-8-9-10-11-12-13-25-40-34-24-21-31(26-33(34)37)36(39)42-32-22-19-29(20-23-32)28-15-17-30(18-16-28)35(38)41-27(3)14-7-5-2/h15-24,26-27H,4-14,25H2,1-3H3