[5-decyl-2-(1,4,7,10-tetraoxacyclotridec-11-ylmethoxy)phenyl]phosphonic acid

Systemtic Name: [5-decyl-2-(1,4,7,10-tetraoxacyclotridec-11-ylmethoxy)phenyl]phosphonic acid Openeye Name: [5-decyl-2-(1,4,7,10-tetraoxacyclotridec-11-ylmethoxy)phenyl]phosphonic acid CAS Name: [5-decyl-2-(1,4,7,10-tetraoxacyclotridec-11-ylmethoxy)phenyl]phosphonic acid IUPAC Name: [5-decyl-2-(1,4,7,10-tetraoxacyclotridec-11-ylmethoxy)phenyl]phosphonic acid Traditional Name: [5-decyl-2-(1,4,7,10-tetraoxacyclotridec-11-ylmethoxy)phenyl]phosphonic acid Formula: C26H45O8P MolecularWeight: 516.604461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)OCC2CCOCCOCCOCCO2)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)OCC2CCOCCOCCOCCO2)P(=O)(O)O

InChI

InChI=1S/C26H45O8P/c1-2-3-4-5-6-7-8-9-10-23-11-12-25(26(21-23)35(27,28)29)34-22-24-13-14-30-15-16-31-17-18-32-19-20-33-24/h11-12,21,24H,2-10,13-20,22H2,1H3,(H2,27,28,29)