5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-3-(phenylsulfanylmethyl)pentanoic acid

Systemtic Name: 5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-3-(phenylsulfanylmethyl)pentanoic acid Openeye Name: 5-tert-butoxy-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid CAS Name: 5-[(2-methylpropan-2-yl)oxy]-5-oxo-3-[(phenylthio)methyl]pentanoic acid IUPAC Name: 5-[(2-methylpropan-2-yl)oxy]-5-oxo-3-(phenylsulfanylmethyl)pentanoic acid Traditional Name: 5-tert-butoxy-5-keto-3-[(phenylthio)methyl]valeric acid Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CC(=O)O)CSC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)CC(CC(=O)O)CSC1=CC=CC=C1

InChI

InChI=1S/C16H22O4S/c1-16(2,3)20-15(19)10-12(9-14(17)18)11-21-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,17,18)