1-isothiocyanato-4-[2-[2-(4-octylphenyl)ethyl]phenyl]benzene

Systemtic Name: 1-isothiocyanato-4-[2-[2-(4-octylphenyl)ethyl]phenyl]benzene Openeye Name: 1-isothiocyanato-4-[2-[2-(4-octylphenyl)ethyl]phenyl]benzene CAS Name: 1-isothiocyanato-4-[2-[2-(4-octylphenyl)ethyl]phenyl]benzene IUPAC Name: 1-isothiocyanato-4-[2-[2-(4-octylphenyl)ethyl]phenyl]benzene Traditional Name: 1-isothiocyanato-4-[2-[2-(4-octylphenyl)ethyl]phenyl]benzene Formula: C29H33NS MolecularWeight: 427.64402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC2=CC=CC=C2C3=CC=C(C=C3)N=C=S

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC2=CC=CC=C2C3=CC=C(C=C3)N=C=S

InChI

InChI=1S/C29H33NS/c1-2-3-4-5-6-7-10-24-13-15-25(16-14-24)17-18-26-11-8-9-12-29(26)27-19-21-28(22-20-27)30-23-31/h8-9,11-16,19-22H,2-7,10,17-18H2,1H3