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6,8-bis(naphthalen-2-ylmethylsulfanyl)octanoic acid

6,8-bis(naphthalen-2-ylmethylsulfanyl)octanoic acid

Systemtic Name:6,8-bis(naphthalen-2-ylmethylsulfanyl)octanoic acid
Openeye Name:6,8-bis(2-naphthylmethylsulfanyl)octanoic acid
CAS Name:6,8-bis(2-naphthalenylmethylthio)octanoic acid
IUPAC Name:6,8-bis(naphthalen-2-ylmethylsulfanyl)octanoic acid
Traditional Name:6,8-bis(2-naphthylmethylthio)caprylic acid
Formula: C30H32O2S2
MolecularWeight: 488.70388
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CSCCC(CCCCC(=O)O)SCC3=CC4=CC=CC=C4C=C3


Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CSCCC(CCCCC(=O)O)SCC3=CC4=CC=CC=C4C=C3


InChI

InChI=1S/C30H32O2S2/c31-30(32)12-6-5-11-29(34-22-24-14-16-26-8-2-4-10-28(26)20-24)17-18-33-21-23-13-15-25-7-1-3-9-27(25)19-23/h1-4,7-10,13-16,19-20,29H,5-6,11-12,17-18,21-22H2,(H,31,32)


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