3-butyl-3-[2-[(4-fluorophenyl)methyl]-4-methyl-phenyl]sulfonyl-heptanal

Systemtic Name: 3-butyl-3-[2-[(4-fluorophenyl)methyl]-4-methyl-phenyl]sulfonyl-heptanal Openeye Name: 3-butyl-3-[2-[(4-fluorophenyl)methyl]-4-methyl-phenyl]sulfonyl-heptanal CAS Name: 3-butyl-3-[2-[(4-fluorophenyl)methyl]-4-methylphenyl]sulfonylheptanal IUPAC Name: 3-butyl-3-[2-[(4-fluorophenyl)methyl]-4-methylphenyl]sulfonylheptanal Traditional Name: 3-butyl-3-[2-(4-fluorobenzyl)-4-methyl-phenyl]sulfonyl-enanthaldehyde Formula: C25H33FO3S MolecularWeight: 432.591123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(CC=O)S(=O)(=O)C1=C(C=C(C=C1)C)CC2=CC=C(C=C2)F

Isomeric SMILES

CCCCC(CCCC)(CC=O)S(=O)(=O)C1=C(C=C(C=C1)C)CC2=CC=C(C=C2)F

InChI

InChI=1S/C25H33FO3S/c1-4-6-14-25(16-17-27,15-7-5-2)30(28,29)24-13-8-20(3)18-22(24)19-21-9-11-23(26)12-10-21/h8-13,17-18H,4-7,14-16,19H2,1-3H3