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(phenylmethylsulfanyl) 2-[bis(phenylmethylsulfanyl)methyl]pentanoate

(phenylmethylsulfanyl) 2-[bis(phenylmethylsulfanyl)methyl]pentanoate

Systemtic Name:(phenylmethylsulfanyl) 2-[bis(phenylmethylsulfanyl)methyl]pentanoate
Openeye Name:benzylsulfanyl 2-[bis(benzylsulfanyl)methyl]pentanoate
CAS Name:2-[bis(phenylmethylthio)methyl]pentanoic acid (phenylmethylthio) ester
IUPAC Name:benzylsulfanyl 2-[bis(benzylsulfanyl)methyl]pentanoate
Traditional Name:2-[bis(benzylthio)methyl]valeric acid (benzylthio) ester
Formula: C27H30O2S3
MolecularWeight: 482.7209
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(SCC1=CC=CC=C1)SCC2=CC=CC=C2)C(=O)OSCC3=CC=CC=C3


Isomeric SMILES

CCCC(C(SCC1=CC=CC=C1)SCC2=CC=CC=C2)C(=O)OSCC3=CC=CC=C3


InChI

InChI=1S/C27H30O2S3/c1-2-12-25(26(28)29-32-21-24-17-10-5-11-18-24)27(30-19-22-13-6-3-7-14-22)31-20-23-15-8-4-9-16-23/h3-11,13-18,25,27H,2,12,19-21H2,1H3


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