CC1(OC2=CC3=C(C(=C2O1)C(C4=C5C(=CC6=C4SC(S6)(C)C)SC(S5)(C)C)(C7=C8C(=CC9=C7SC(S9)(C)C)SC(S8)(C)C)O)OC(O3)(C)C)C
Nombre: (2,2,6,6-tetramethyl-[1,3]dioxolo[4,5-f][1,3]benzodioxol-8-yl)-bis(2,2,6,6-tetramethyl-[1,3]dithiolo[4,5-f][1,3]benzodithiol-8-yl)methanol
SMILES: CC1(OC2=CC3=C(C(=C2O1)C(C4=C5C(=CC6=C4SC(S6)(C)C)SC(S5)(C)C)(C7=C8C(=CC9=C7SC(S9)(C)C)SC(S8)(C)C)O)OC(O3)(C)C)C

Molecular Processing

Molecular formula
C37H40O5S8
Molecular weight
821.26
Exact mass
820.0641
XLogP
12.72
TPSA
57.15
H-bond donors
1
H-bond acceptors
13
Rotatable bonds
3
Heavy atoms
50
Rings
9
Aromatic rings
3
Saturated rings
0
Aliphatic rings
6
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.514
Molar refractivity
215.27

Supplementary Information

InChIKey: PQTWLDNTQDNIML-UHFFFAOYSA-N
Sinónimos
SCHEMBL7523102PQTWLDNTQDNIML-UHFFFAOYSA-NBis-(2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)-dithiole-4-yl)-mono-(2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dioxole-4-yl)methanolBis-(2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dithiole-4-yl)-mono-(2,2,6,6-tetramethylbenzo[1,2-d:4,5-d']-bis(1,3)dioxol-4-yl)methanol
Ver fuente →
Participa en 3 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→