4,6-bis(phenylmethylsulfanyl)hexanoic acid

Systemtic Name: 4,6-bis(phenylmethylsulfanyl)hexanoic acid Openeye Name: 4,6-bis(benzylsulfanyl)hexanoic acid CAS Name: 4,6-bis(phenylmethylthio)hexanoic acid IUPAC Name: 4,6-bis(benzylsulfanyl)hexanoic acid Traditional Name: 4,6-bis(benzylthio)hexanoic acid Formula: C20H24O2S2 MolecularWeight: 360.53336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(CCC(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(CCC(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C20H24O2S2/c21-20(22)12-11-19(24-16-18-9-5-2-6-10-18)13-14-23-15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,21,22)