2-(2-phenethylsulfanylpyran-2-yl)pentanoic acid

Systemtic Name: 2-(2-phenethylsulfanylpyran-2-yl)pentanoic acid Openeye Name: 2-(2-phenethylsulfanylpyran-2-yl)pentanoic acid CAS Name: 2-[2-(phenethylthio)-2-pyranyl]pentanoic acid IUPAC Name: 2-(2-phenethylsulfanylpyran-2-yl)pentanoic acid Traditional Name: 2-[2-(phenethylthio)pyran-2-yl]valeric acid Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)C1(C=CC=CO1)SCCC2=CC=CC=C2

Isomeric SMILES

CCCC(C(=O)O)C1(C=CC=CO1)SCCC2=CC=CC=C2

InChI

InChI=1S/C18H22O3S/c1-2-8-16(17(19)20)18(12-6-7-13-21-18)22-14-11-15-9-4-3-5-10-15/h3-7,9-10,12-13,16H,2,8,11,14H2,1H3,(H,19,20)