5,5-bis(phenylsulfanyl)pentyl octanoate

Systemtic Name: 5,5-bis(phenylsulfanyl)pentyl octanoate Openeye Name: 5,5-bis(phenylsulfanyl)pentyl octanoate CAS Name: octanoic acid 5,5-bis(phenylthio)pentyl ester IUPAC Name: 5,5-bis(phenylsulfanyl)pentyl octanoate Traditional Name: caprylic acid 5,5-bis(phenylthio)pentyl ester Formula: C25H34O2S2 MolecularWeight: 430.66626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCCCC(SC1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)OCCCCC(SC1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C25H34O2S2/c1-2-3-4-5-12-19-24(26)27-21-14-13-20-25(28-22-15-8-6-9-16-22)29-23-17-10-7-11-18-23/h6-11,15-18,25H,2-5,12-14,19-21H2,1H3