(2E)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-1-phenyl-propan-1-one

Systemtic Name: (2E)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-1-phenyl-propan-1-one Openeye Name: (2E)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-1-phenyl-propan-1-one CAS Name: (2E)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-1-phenyl-1-propanone IUPAC Name: (2E)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-1-phenylpropan-1-one Traditional Name: (2E)-2-(5-tert-butyl-1,3-benzodithiol-2-ylidene)-1-phenyl-propan-1-one Formula: C20H20OS2 MolecularWeight: 340.5022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1SC2=C(S1)C=C(C=C2)C(C)(C)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

C/C(=C\1/SC2=C(S1)C=C(C=C2)C(C)(C)C)/C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20OS2/c1-13(18(21)14-8-6-5-7-9-14)19-22-16-11-10-15(20(2,3)4)12-17(16)23-19/h5-12H,1-4H3/b19-13+