[5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methyl-thiophen-2-yl]methoxymethylphosphonic acid

Systemtic Name: [5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methyl-thiophen-2-yl]methoxymethylphosphonic acid Openeye Name: [5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methyl-2-thienyl]methoxymethylphosphonic acid CAS Name: [5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methyl-2-thiophenyl]methoxymethylphosphonic acid IUPAC Name: [5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methylthiophen-2-yl]methoxymethylphosphonic acid Traditional Name: [5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-methyl-2-thienyl]methoxymethylphosphonic acid Formula: C16H25O4PS MolecularWeight: 344.406061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C=C(C)CCC=C(C)C)COCP(=O)(O)O

Isomeric SMILES

CC1=C(SC(=C1)/C=C(\C)/CCC=C(C)C)COCP(=O)(O)O

InChI

InChI=1S/C16H25O4PS/c1-12(2)6-5-7-13(3)8-15-9-14(4)16(22-15)10-20-11-21(17,18)19/h6,8-9H,5,7,10-11H2,1-4H3,(H2,17,18,19)/b13-8+