S-ethyl 2,2,3-trimethyl-3-oxidanyl-5-phenyl-pent-4-ynethioate

Systemtic Name: S-ethyl 2,2,3-trimethyl-3-oxidanyl-5-phenyl-pent-4-ynethioate Openeye Name: S-ethyl 3-hydroxy-2,2,3-trimethyl-5-phenyl-pent-4-ynethioate CAS Name: 3-hydroxy-2,2,3-trimethyl-5-phenyl-4-pentynethioic acid S-ethyl ester IUPAC Name: S-ethyl 3-hydroxy-2,2,3-trimethyl-5-phenylpent-4-ynethioate Traditional Name: 3-hydroxy-2,2,3-trimethyl-5-phenyl-pent-4-ynethioic acid S-ethyl ester Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(C)(C)C(C)(C#CC1=CC=CC=C1)O

Isomeric SMILES

CCSC(=O)C(C)(C)C(C)(C#CC1=CC=CC=C1)O

InChI

InChI=1S/C16H20O2S/c1-5-19-14(17)15(2,3)16(4,18)12-11-13-9-7-6-8-10-13/h6-10,18H,5H2,1-4H3