5-(3-methoxyphenoxy)-2-(sulfanylmethyl)pentanoic acid

Systemtic Name: 5-(3-methoxyphenoxy)-2-(sulfanylmethyl)pentanoic acid Openeye Name: 5-(3-methoxyphenoxy)-2-(sulfanylmethyl)pentanoic acid CAS Name: 2-(mercaptomethyl)-5-(3-methoxyphenoxy)pentanoic acid IUPAC Name: 5-(3-methoxyphenoxy)-2-(sulfanylmethyl)pentanoic acid Traditional Name: 2-(mercaptomethyl)-5-(3-methoxyphenoxy)valeric acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCCCC(CS)C(=O)O

Isomeric SMILES

COC1=CC(=CC=C1)OCCCC(CS)C(=O)O

InChI

InChI=1S/C13H18O4S/c1-16-11-5-2-6-12(8-11)17-7-3-4-10(9-18)13(14)15/h2,5-6,8,10,18H,3-4,7,9H2,1H3,(H,14,15)