[6-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-4-ethyl-hexan-3-yl]phosphonic acid

Systemtic Name: [6-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-4-ethyl-hexan-3-yl]phosphonic acid Openeye Name: [4-(3,4-dimethoxyphenyl)-1-ethoxycarbonyl-1,2-diethyl-butyl]phosphonic acid CAS Name: [6-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-4-ethylhexan-3-yl]phosphonic acid IUPAC Name: [6-(3,4-dimethoxyphenyl)-3-ethoxycarbonyl-4-ethylhexan-3-yl]phosphonic acid Traditional Name: [1-carbethoxy-4-(3,4-dimethoxyphenyl)-1,2-diethyl-butyl]phosphonic acid Formula: C19H31O7P MolecularWeight: 402.419001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC(=C(C=C1)OC)OC)C(CC)(C(=O)OCC)P(=O)(O)O

Isomeric SMILES

CCC(CCC1=CC(=C(C=C1)OC)OC)C(CC)(C(=O)OCC)P(=O)(O)O

InChI

InChI=1S/C19H31O7P/c1-6-15(19(7-2,27(21,22)23)18(20)26-8-3)11-9-14-10-12-16(24-4)17(13-14)25-5/h10,12-13,15H,6-9,11H2,1-5H3,(H2,21,22,23)