S-[4-(4-hexylsulfanylphenyl)phenyl] 4-pentylcyclohex-2-ene-1-carbothioate

Systemtic Name: S-[4-(4-hexylsulfanylphenyl)phenyl] 4-pentylcyclohex-2-ene-1-carbothioate Openeye Name: S-[4-(4-hexylsulfanylphenyl)phenyl] 4-pentylcyclohex-2-ene-1-carbothioate CAS Name: 4-pentyl-1-cyclohex-2-enecarbothioic acid S-[4-[4-(hexylthio)phenyl]phenyl] ester IUPAC Name: S-[4-(4-hexylsulfanylphenyl)phenyl] 4-pentylcyclohex-2-ene-1-carbothioate Traditional Name: 4-amylcyclohex-2-ene-1-carbothioic acid S-[4-[4-(hexylthio)phenyl]phenyl] ester Formula: C30H40OS2 MolecularWeight: 480.768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=CC=C(C=C1)C2=CC=C(C=C2)SC(=O)C3CCC(C=C3)CCCCC

Isomeric SMILES

CCCCCCSC1=CC=C(C=C1)C2=CC=C(C=C2)SC(=O)C3CCC(C=C3)CCCCC

InChI

InChI=1S/C30H40OS2/c1-3-5-7-9-23-32-28-19-15-25(16-20-28)26-17-21-29(22-18-26)33-30(31)27-13-11-24(12-14-27)10-8-6-4-2/h11,13,15-22,24,27H,3-10,12,14,23H2,1-2H3