[3,4-dioctadecoxybutyl(phenoxy)phosphoryl]methylphosphonic acid

Systemtic Name: [3,4-dioctadecoxybutyl(phenoxy)phosphoryl]methylphosphonic acid Openeye Name: [3,4-dioctadecoxybutyl(phenoxy)phosphoryl]methylphosphonic acid CAS Name: [3,4-dioctadecoxybutyl(phenoxy)phosphoryl]methylphosphonic acid IUPAC Name: [3,4-dioctadecoxybutyl(phenoxy)phosphoryl]methylphosphonic acid Traditional Name: [3,4-distearyloxybutyl(phenoxy)phosphoryl]methylphosphonic acid Formula: C47H90O7P2 MolecularWeight: 829.160822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CCP(=O)(CP(=O)(O)O)OC1=CC=CC=C1)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CCP(=O)(CP(=O)(O)O)OC1=CC=CC=C1)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C47H90O7P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-41-52-44-47(40-43-55(48,45-56(49,50)51)54-46-38-34-33-35-39-46)53-42-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35,38-39,47H,3-32,36-37,40-45H2,1-2H3,(H2,49,50,51)