4-(3-tert-butyl-4-oxidanyl-phenyl)-2-(2,2-dimethylpropyl)-5-oxidanylidene-5-propoxy-pentanethioic S-acid

Systemtic Name: 4-(3-tert-butyl-4-oxidanyl-phenyl)-2-(2,2-dimethylpropyl)-5-oxidanylidene-5-propoxy-pentanethioic S-acid Openeye Name: 4-(3-tert-butyl-4-hydroxy-phenyl)-2-(2,2-dimethylpropyl)-5-oxo-5-propoxy-pentanethioic S-acid CAS Name: 4-(3-tert-butyl-4-hydroxyphenyl)-2-(2,2-dimethylpropyl)-5-oxo-5-propoxypentanethioic S-acid IUPAC Name: 4-(3-tert-butyl-4-hydroxyphenyl)-2-(2,2-dimethylpropyl)-5-oxo-5-propoxypentanethioic S-acid Traditional Name: 4-(3-tert-butyl-4-hydroxy-phenyl)-5-keto-2-neopentyl-5-propoxy-thiovaleric acid Formula: C23H36O4S MolecularWeight: 408.59454

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(CC(CC(C)(C)C)C(=O)S)C1=CC(=C(C=C1)O)C(C)(C)C

Isomeric SMILES

CCCOC(=O)C(CC(CC(C)(C)C)C(=O)S)C1=CC(=C(C=C1)O)C(C)(C)C

InChI

InChI=1S/C23H36O4S/c1-8-11-27-20(25)17(12-16(21(26)28)14-22(2,3)4)15-9-10-19(24)18(13-15)23(5,6)7/h9-10,13,16-17,24H,8,11-12,14H2,1-7H3,(H,26,28)