2-(oxan-4-ylsulfanylmethyl)-5-phenyl-pentanoic acid

Systemtic Name: 2-(oxan-4-ylsulfanylmethyl)-5-phenyl-pentanoic acid Openeye Name: 5-phenyl-2-(tetrahydropyran-4-ylsulfanylmethyl)pentanoic acid CAS Name: 2-[(4-oxanylthio)methyl]-5-phenylpentanoic acid IUPAC Name: 2-(oxan-4-ylsulfanylmethyl)-5-phenylpentanoic acid Traditional Name: 5-phenyl-2-[(tetrahydropyran-4-ylthio)methyl]valeric acid Formula: C17H24O3S MolecularWeight: 308.43566

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1SCC(CCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1COCCC1SCC(CCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H24O3S/c18-17(19)15(13-21-16-9-11-20-12-10-16)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,18,19)