[5-(5-bromanyl-3-hexyl-thiophen-2-yl)-4-hexyl-thiophen-2-yl]methylphosphonic acid

Systemtic Name: [5-(5-bromanyl-3-hexyl-thiophen-2-yl)-4-hexyl-thiophen-2-yl]methylphosphonic acid Openeye Name: [5-(5-bromo-3-hexyl-2-thienyl)-4-hexyl-2-thienyl]methylphosphonic acid CAS Name: [5-(5-bromo-3-hexyl-2-thiophenyl)-4-hexyl-2-thiophenyl]methylphosphonic acid IUPAC Name: [5-(5-bromo-3-hexylthiophen-2-yl)-4-hexylthiophen-2-yl]methylphosphonic acid Traditional Name: [5-(5-bromo-3-hexyl-2-thienyl)-4-hexyl-2-thienyl]methylphosphonic acid Formula: C21H32BrO3PS2 MolecularWeight: 507.484741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(SC(=C1)CP(=O)(O)O)C2=C(C=C(S2)Br)CCCCCC

Isomeric SMILES

CCCCCCC1=C(SC(=C1)CP(=O)(O)O)C2=C(C=C(S2)Br)CCCCCC

InChI

InChI=1S/C21H32BrO3PS2/c1-3-5-7-9-11-16-13-18(15-26(23,24)25)27-20(16)21-17(14-19(22)28-21)12-10-8-6-4-2/h13-14H,3-12,15H2,1-2H3,(H2,23,24,25)