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1-heptyl-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene

1-heptyl-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene

Systemtic Name:1-heptyl-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene
Openeye Name:1-heptyl-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene
CAS Name:1-heptyl-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene
IUPAC Name:1-heptyl-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene
Traditional Name:1-heptyl-4-[2-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene
Formula: C28H31NS
MolecularWeight: 413.61744
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2CCC3=CC=C(C=C3)N=C=S


Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2CCC3=CC=C(C=C3)N=C=S


InChI

InChI=1S/C28H31NS/c1-2-3-4-5-6-9-23-12-18-26(19-13-23)28-11-8-7-10-25(28)17-14-24-15-20-27(21-16-24)29-22-30/h7-8,10-13,15-16,18-21H,2-6,9,14,17H2,1H3


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