ethyl 2,2,4-trimethyl-3-oxidanyl-4-(phenylmethylsulfanyl)pentanoate

Systemtic Name: ethyl 2,2,4-trimethyl-3-oxidanyl-4-(phenylmethylsulfanyl)pentanoate Openeye Name: ethyl 4-benzylsulfanyl-3-hydroxy-2,2,4-trimethyl-pentanoate CAS Name: 3-hydroxy-2,2,4-trimethyl-4-(phenylmethylthio)pentanoic acid ethyl ester IUPAC Name: ethyl 4-benzylsulfanyl-3-hydroxy-2,2,4-trimethylpentanoate Traditional Name: 4-(benzylthio)-3-hydroxy-2,2,4-trimethyl-valeric acid ethyl ester Formula: C17H26O3S MolecularWeight: 310.45154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)C(C(C)(C)SCC1=CC=CC=C1)O

Isomeric SMILES

CCOC(=O)C(C)(C)C(C(C)(C)SCC1=CC=CC=C1)O

InChI

InChI=1S/C17H26O3S/c1-6-20-15(19)16(2,3)14(18)17(4,5)21-12-13-10-8-7-9-11-13/h7-11,14,18H,6,12H2,1-5H3