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

Systemtic Name: 5-(4-ethanoyl-3-oxidanyl-2-prop-2-enyl-phenoxy)-4-oxidanyl-2-(sulfanylmethyl)pentanoic acid Openeye Name: 5-(4-acetyl-2-allyl-3-hydroxy-phenoxy)-4-hydroxy-2-(sulfanylmethyl)pentanoic acid CAS Name: 5-(4-acetyl-3-hydroxy-2-prop-2-enylphenoxy)-4-hydroxy-2-(mercaptomethyl)pentanoic acid IUPAC Name: 5-(4-acetyl-3-hydroxy-2-prop-2-enylphenoxy)-4-hydroxy-2-(sulfanylmethyl)pentanoic acid Traditional Name: 5-(4-acetyl-2-allyl-3-hydroxy-phenoxy)-4-hydroxy-2-(mercaptomethyl)valeric acid Formula: C17H22O6S MolecularWeight: 354.41798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O6S/c1-3-4-14-15(6-5-13(10(2)18)16(14)20)23-8-12(19)7-11(9-24)17(21)22/h3,5-6,11-12,19-20,24H,1,4,7-9H2,2H3,(H,21,22)