7-[(1S,2S)-2-butylsulfanylcyclopentyl]-2-phenyl-heptanoic acid

Systemtic Name: 7-[(1S,2S)-2-butylsulfanylcyclopentyl]-2-phenyl-heptanoic acid Openeye Name: 7-[(1S,2S)-2-butylsulfanylcyclopentyl]-2-phenyl-heptanoic acid CAS Name: 7-[(1S,2S)-2-(butylthio)cyclopentyl]-2-phenylheptanoic acid IUPAC Name: 7-[(1S,2S)-2-butylsulfanylcyclopentyl]-2-phenylheptanoic acid Traditional Name: 7-[(1S,2S)-2-(butylthio)cyclopentyl]-2-phenyl-enanthic acid Formula: C22H34O2S MolecularWeight: 362.56916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1CCCC1CCCCCC(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCS[C@H]1CCC[C@@H]1CCCCCC(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H34O2S/c1-2-3-17-25-21-16-10-14-19(21)13-8-5-9-15-20(22(23)24)18-11-6-4-7-12-18/h4,6-7,11-12,19-21H,2-3,5,8-10,13-17H2,1H3,(H,23,24)/t19-,20?,21-/m0/s1