5-(4-ethanoyl-3-oxidanyl-2-prop-2-enyl-phenoxy)-2-(sulfanylmethyl)pentanoic acid

Systemtic Name: 5-(4-ethanoyl-3-oxidanyl-2-prop-2-enyl-phenoxy)-2-(sulfanylmethyl)pentanoic acid Openeye Name: 5-(4-acetyl-2-allyl-3-hydroxy-phenoxy)-2-(sulfanylmethyl)pentanoic acid CAS Name: 5-(4-acetyl-3-hydroxy-2-prop-2-enylphenoxy)-2-(mercaptomethyl)pentanoic acid IUPAC Name: 5-(4-acetyl-3-hydroxy-2-prop-2-enylphenoxy)-2-(sulfanylmethyl)pentanoic acid Traditional Name: 5-(4-acetyl-2-allyl-3-hydroxy-phenoxy)-2-(mercaptomethyl)valeric acid Formula: C17H22O5S MolecularWeight: 338.41858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O5S/c1-3-5-14-15(8-7-13(11(2)18)16(14)19)22-9-4-6-12(10-23)17(20)21/h3,7-8,12,19,23H,1,4-6,9-10H2,2H3,(H,20,21)