S-[4-[(E)-4-[4-(ethylsulfanylmethyl)cyclohexyl]but-1-enyl]phenyl] 4-hexylcyclohex-2-ene-1-carbothioate

Systemtic Name: S-[4-[(E)-4-[4-(ethylsulfanylmethyl)cyclohexyl]but-1-enyl]phenyl] 4-hexylcyclohex-2-ene-1-carbothioate Openeye Name: S-[4-[(E)-4-[4-(ethylsulfanylmethyl)cyclohexyl]but-1-enyl]phenyl] 4-hexylcyclohex-2-ene-1-carbothioate CAS Name: 4-hexyl-1-cyclohex-2-enecarbothioic acid S-[4-[(E)-4-[4-[(ethylthio)methyl]cyclohexyl]but-1-enyl]phenyl] ester IUPAC Name: S-[4-[(E)-4-[4-(ethylsulfanylmethyl)cyclohexyl]but-1-enyl]phenyl] 4-hexylcyclohex-2-ene-1-carbothioate Traditional Name: 4-hexylcyclohex-2-ene-1-carbothioic acid S-[4-[(E)-4-[4-[(ethylthio)methyl]cyclohexyl]but-1-enyl]phenyl] ester Formula: C32H48OS2 MolecularWeight: 512.85292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(C=C1)C(=O)SC2=CC=C(C=C2)C=CCCC3CCC(CC3)CSCC

Isomeric SMILES

CCCCCCC1CCC(C=C1)C(=O)SC2=CC=C(C=C2)/C=C/CCC3CCC(CC3)CSCC

InChI

InChI=1S/C32H48OS2/c1-3-5-6-7-10-27-17-21-30(22-18-27)32(33)35-31-23-19-28(20-24-31)12-9-8-11-26-13-15-29(16-14-26)25-34-4-2/h9,12,17,19-21,23-24,26-27,29-30H,3-8,10-11,13-16,18,22,25H2,1-2H3/b12-9+