4-(2-iodanyl-4,5-dithiophen-2-yl-thiophen-3-yl)butylphosphonic acid

Systemtic Name: 4-(2-iodanyl-4,5-dithiophen-2-yl-thiophen-3-yl)butylphosphonic acid Openeye Name: 4-[2-iodo-4,5-bis(2-thienyl)-3-thienyl]butylphosphonic acid CAS Name: 4-(2-iodo-4,5-dithiophen-2-yl-3-thiophenyl)butylphosphonic acid IUPAC Name: 4-(2-iodo-4,5-dithiophen-2-ylthiophen-3-yl)butylphosphonic acid Traditional Name: 4-[2-iodo-4,5-bis(2-thienyl)-3-thienyl]butylphosphonic acid Formula: C16H16IO3PS3 MolecularWeight: 510.369671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(SC(=C2CCCCP(=O)(O)O)I)C3=CC=CS3

Isomeric SMILES

C1=CSC(=C1)C2=C(SC(=C2CCCCP(=O)(O)O)I)C3=CC=CS3

InChI

InChI=1S/C16H16IO3PS3/c17-16-11(5-1-2-8-21(18,19)20)14(12-6-3-9-22-12)15(24-16)13-7-4-10-23-13/h3-4,6-7,9-10H,1-2,5,8H2,(H2,18,19,20)