3-ethyl-9-(2-fluoranylethyl)-3-(2-pentylheptyl)dodecan-2-one

Systemtic Name: 3-ethyl-9-(2-fluoranylethyl)-3-(2-pentylheptyl)dodecan-2-one Openeye Name: 3-ethyl-9-(2-fluoroethyl)-3-(2-pentylheptyl)dodecan-2-one CAS Name: 3-ethyl-9-(2-fluoroethyl)-3-(2-pentylheptyl)-2-dodecanone IUPAC Name: 3-ethyl-9-(2-fluoroethyl)-3-(2-pentylheptyl)dodecan-2-one Traditional Name: 3-(2-amylheptyl)-3-ethyl-9-(2-fluoroethyl)dodecan-2-one Formula: C28H55FO MolecularWeight: 426.734103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCC)CC(CC)(CCCCCC(CCC)CCF)C(=O)C

Isomeric SMILES

CCCCCC(CCCCC)CC(CC)(CCCCCC(CCC)CCF)C(=O)C

InChI

InChI=1S/C28H55FO/c1-6-10-13-19-27(20-14-11-7-2)24-28(9-4,25(5)30)22-16-12-15-18-26(17-8-3)21-23-29/h26-27H,6-24H2,1-5H3