2-methylbutyl 4-[4-(4-decoxyphenyl)carbonyloxyphenyl]-3-fluoranyl-benzoate

Systemtic Name: 2-methylbutyl 4-[4-(4-decoxyphenyl)carbonyloxyphenyl]-3-fluoranyl-benzoate Openeye Name: 2-methylbutyl 4-[4-(4-decoxybenzoyl)oxyphenyl]-3-fluoro-benzoate CAS Name: 4-[4-[(4-decoxyphenyl)-oxomethoxy]phenyl]-3-fluorobenzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[4-(4-decoxybenzoyl)oxyphenyl]-3-fluorobenzoate Traditional Name: 4-[4-(4-decoxybenzoyl)oxyphenyl]-3-fluoro-benzoic acid 2-methylbutyl ester Formula: C35H43FO5 MolecularWeight: 562.711323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H43FO5/c1-4-6-7-8-9-10-11-12-23-39-30-18-15-28(16-19-30)35(38)41-31-20-13-27(14-21-31)32-22-17-29(24-33(32)36)34(37)40-25-26(3)5-2/h13-22,24,26H,4-12,23,25H2,1-3H3