5-(3-methoxy-5-methyl-phenoxy)-2-(sulfanylmethyl)pentanoic acid

Systemtic Name: 5-(3-methoxy-5-methyl-phenoxy)-2-(sulfanylmethyl)pentanoic acid Openeye Name: 5-(3-methoxy-5-methyl-phenoxy)-2-(sulfanylmethyl)pentanoic acid CAS Name: 2-(mercaptomethyl)-5-(3-methoxy-5-methylphenoxy)pentanoic acid IUPAC Name: 5-(3-methoxy-5-methylphenoxy)-2-(sulfanylmethyl)pentanoic acid Traditional Name: 2-(mercaptomethyl)-5-(3-methoxy-5-methyl-phenoxy)valeric acid Formula: C14H20O4S MolecularWeight: 284.3712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCC(CS)C(=O)O)OC

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCC(CS)C(=O)O)OC

InChI

InChI=1S/C14H20O4S/c1-10-6-12(17-2)8-13(7-10)18-5-3-4-11(9-19)14(15)16/h6-8,11,19H,3-5,9H2,1-2H3,(H,15,16)