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

Systemtic Name: S-[cyclohexyl(phenylsulfanyl)methyl] pent-4-ynethioate Openeye Name: S-[cyclohexyl(phenylsulfanyl)methyl] pent-4-ynethioate CAS Name: 4-pentynethioic acid S-[cyclohexyl-(phenylthio)methyl] ester IUPAC Name: S-[cyclohexyl(phenylsulfanyl)methyl] pent-4-ynethioate Traditional Name: pent-4-ynethioic acid S-[cyclohexyl-(phenylthio)methyl] ester Formula: C18H22OS2 MolecularWeight: 318.49668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22OS2/c1-2-3-14-17(19)21-18(15-10-6-4-7-11-15)20-16-12-8-5-9-13-16/h1,5,8-9,12-13,15,18H,3-4,6-7,10-11,14H2