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6,8-bis(cyclopenta-1,3-dien-1-ylmethylsulfanyl)octanoic acid

6,8-bis(cyclopenta-1,3-dien-1-ylmethylsulfanyl)octanoic acid

Systemtic Name:6,8-bis(cyclopenta-1,3-dien-1-ylmethylsulfanyl)octanoic acid
Openeye Name:6,8-bis(cyclopenta-1,3-dien-1-ylmethylsulfanyl)octanoic acid
CAS Name:6,8-bis(1-cyclopenta-1,3-dienylmethylthio)octanoic acid
IUPAC Name:6,8-bis(cyclopenta-1,3-dien-1-ylmethylsulfanyl)octanoic acid
Traditional Name:6,8-bis(cyclopenta-1,3-dien-1-ylmethylthio)caprylic acid
Formula: C20H28O2S2
MolecularWeight: 364.56512
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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C1CSCCC(CCCCC(=O)O)SCC2=CC=CC2


Isomeric SMILES

C1C=CC=C1CSCCC(CCCCC(=O)O)SCC2=CC=CC2


InChI

InChI=1S/C20H28O2S2/c21-20(22)12-6-5-11-19(24-16-18-9-3-4-10-18)13-14-23-15-17-7-1-2-8-17/h1-4,7,9,19H,5-6,8,10-16H2,(H,21,22)


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