2,5-bis(2-tert-butyl-1,3-benzoxathiol-2-yl)-1H-pyrrole

Systemtic Name: 2,5-bis(2-tert-butyl-1,3-benzoxathiol-2-yl)-1H-pyrrole Openeye Name: 2,5-bis(2-tert-butyl-1,3-benzoxathiol-2-yl)-1H-pyrrole CAS Name: 2,5-bis(2-tert-butyl-1,3-benzoxathiol-2-yl)-1H-pyrrole IUPAC Name: 2,5-bis(2-tert-butyl-1,3-benzoxathiol-2-yl)-1H-pyrrole Traditional Name: 2,5-bis(2-tert-butyl-1,3-benzoxathiol-2-yl)-1H-pyrrole Formula: C26H29NO2S2 MolecularWeight: 451.64396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(OC2=CC=CC=C2S1)C3=CC=C(N3)C4(OC5=CC=CC=C5S4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1(OC2=CC=CC=C2S1)C3=CC=C(N3)C4(OC5=CC=CC=C5S4)C(C)(C)C

InChI

InChI=1S/C26H29NO2S2/c1-23(2,3)25(28-17-11-7-9-13-19(17)30-25)21-15-16-22(27-21)26(24(4,5)6)29-18-12-8-10-14-20(18)31-26/h7-16,27H,1-6H3