4-(4-dodecylcyclohexyl)-2-fluoranyl-1-isothiocyanato-benzene

Systemtic Name: 4-(4-dodecylcyclohexyl)-2-fluoranyl-1-isothiocyanato-benzene Openeye Name: 4-(4-dodecylcyclohexyl)-2-fluoro-1-isothiocyanato-benzene CAS Name: 4-(4-dodecylcyclohexyl)-2-fluoro-1-isothiocyanatobenzene IUPAC Name: 4-(4-dodecylcyclohexyl)-2-fluoro-1-isothiocyanatobenzene Traditional Name: 2-fluoro-1-isothiocyanato-4-(4-laurylcyclohexyl)benzene Formula: C25H38FNS MolecularWeight: 403.639323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1CCC(CC1)C2=CC(=C(C=C2)N=C=S)F

Isomeric SMILES

CCCCCCCCCCCCC1CCC(CC1)C2=CC(=C(C=C2)N=C=S)F

InChI

InChI=1S/C25H38FNS/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-15-22(16-14-21)23-17-18-25(27-20-28)24(26)19-23/h17-19,21-22H,2-16H2,1H3