2-[3,5-ditert-butyl-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-oxidanylidene-6-sulfanyl-cyclohexa-2,5-dien-1-yl]propanethial

Systemtic Name: 2-[3,5-ditert-butyl-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-oxidanylidene-6-sulfanyl-cyclohexa-2,5-dien-1-yl]propanethial Openeye Name: 2-[3,5-ditert-butyl-2-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-oxo-6-sulfanyl-cyclohexa-2,5-dien-1-yl]propanethial CAS Name: 2-[3,5-ditert-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)-6-mercapto-4-oxo-1-cyclohexa-2,5-dienyl]propanethial IUPAC Name: 2-[3,5-ditert-butyl-2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-oxo-6-sulfanylcyclohexa-2,5-dien-1-yl]propanethial Traditional Name: 2-[3,5-ditert-butyl-2-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-keto-6-mercapto-cyclohexa-2,5-dien-1-yl]thiopropionaldehyde Formula: C31H46O2S2 MolecularWeight: 514.82574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C=S)C1C(=C(C(=O)C(=C1S)C(C)(C)C)C(C)(C)C)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C=S)C1C(=C(C(=O)C(=C1S)C(C)(C)C)C(C)(C)C)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C31H46O2S2/c1-17(16-34)21-22(23(30(8,9)10)26(33)24(27(21)35)31(11,12)13)18-14-19(28(2,3)4)25(32)20(15-18)29(5,6)7/h14-17,21,32,35H,1-13H3