[5-decyl-2-(1,4,7,10-tetraoxacyclotetradec-12-ylmethoxy)phenyl]phosphonic acid

Systemtic Name: [5-decyl-2-(1,4,7,10-tetraoxacyclotetradec-12-ylmethoxy)phenyl]phosphonic acid Openeye Name: [5-decyl-2-(1,4,7,10-tetraoxacyclotetradec-12-ylmethoxy)phenyl]phosphonic acid CAS Name: [5-decyl-2-(1,4,7,10-tetraoxacyclotetradec-12-ylmethoxy)phenyl]phosphonic acid IUPAC Name: [5-decyl-2-(1,4,7,10-tetraoxacyclotetradec-12-ylmethoxy)phenyl]phosphonic acid Traditional Name: [5-decyl-2-(1,4,7,10-tetraoxacyclotetradec-12-ylmethoxy)phenyl]phosphonic acid Formula: C27H47O8P MolecularWeight: 530.631041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)OCC2CCOCCOCCOCCOC2)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)OCC2CCOCCOCCOCCOC2)P(=O)(O)O

InChI

InChI=1S/C27H47O8P/c1-2-3-4-5-6-7-8-9-10-24-11-12-26(27(21-24)36(28,29)30)35-23-25-13-14-31-15-16-32-17-18-33-19-20-34-22-25/h11-12,21,25H,2-10,13-20,22-23H2,1H3,(H2,28,29,30)