4-[2-(4-phosphonobutyl)-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]butylphosphonic acid

Systemtic Name: 4-[2-(4-phosphonobutyl)-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]butylphosphonic acid Openeye Name: 4-[2-(4-phosphonobutyl)-4-(2-thienyl)-5-[3,4,5-tris(2-thienyl)-2-thienyl]-3-thienyl]butylphosphonic acid CAS Name: 4-[2-(4-phosphonobutyl)-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-yl-2-thiophenyl)-3-thiophenyl]butylphosphonic acid IUPAC Name: 4-[2-(4-phosphonobutyl)-4-thiophen-2-yl-5-(3,4,5-trithiophen-2-ylthiophen-2-yl)thiophen-3-yl]butylphosphonic acid Traditional Name: 4-[2-(4-phosphonobutyl)-4-(2-thienyl)-5-[3,4,5-tris(2-thienyl)-2-thienyl]-3-thienyl]butylphosphonic acid Formula: C32H32O6P2S6 MolecularWeight: 766.930402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(SC(=C2CCCCP(=O)(O)O)CCCCP(=O)(O)O)C3=C(C(=C(S3)C4=CC=CS4)C5=CC=CS5)C6=CC=CS6

Isomeric SMILES

C1=CSC(=C1)C2=C(SC(=C2CCCCP(=O)(O)O)CCCCP(=O)(O)O)C3=C(C(=C(S3)C4=CC=CS4)C5=CC=CS5)C6=CC=CS6

InChI

InChI=1S/C32H32O6P2S6/c33-39(34,35)15-3-1-9-21-22(10-2-4-16-40(36,37)38)45-31(27(21)23-11-5-17-41-23)32-29(25-13-7-19-43-25)28(24-12-6-18-42-24)30(46-32)26-14-8-20-44-26/h5-8,11-14,17-20H,1-4,9-10,15-16H2,(H2,33,34,35)(H2,36,37,38)