S-[cyclohexyl(phenylsulfanyl)methyl] oct-4-ynethioate

Systemtic Name: S-[cyclohexyl(phenylsulfanyl)methyl] oct-4-ynethioate Openeye Name: S-[cyclohexyl(phenylsulfanyl)methyl] oct-4-ynethioate CAS Name: 4-octynethioic acid S-[cyclohexyl-(phenylthio)methyl] ester IUPAC Name: S-[cyclohexyl(phenylsulfanyl)methyl] oct-4-ynethioate Traditional Name: oct-4-ynethioic acid S-[cyclohexyl-(phenylthio)methyl] ester Formula: C21H28OS2 MolecularWeight: 360.57642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCC(=O)SC(C1CCCCC1)SC2=CC=CC=C2

Isomeric SMILES

CCCC#CCCC(=O)SC(C1CCCCC1)SC2=CC=CC=C2

InChI

InChI=1S/C21H28OS2/c1-2-3-4-5-12-17-20(22)24-21(18-13-8-6-9-14-18)23-19-15-10-7-11-16-19/h7,10-11,15-16,18,21H,2-3,6,8-9,12-14,17H2,1H3