1-phosphonohexatetracontan-19-ylphosphonic acid

Systemtic Name: 1-phosphonohexatetracontan-19-ylphosphonic acid Openeye Name: 19-phosphonohexatetracontylphosphonic acid CAS Name: 1-phosphonohexatetracontan-19-ylphosphonic acid IUPAC Name: 1-phosphonohexatetracontan-19-ylphosphonic acid Traditional Name: 19-phosphonohexatetracontylphosphonic acid Formula: C46H96O6P2 MolecularWeight: 807.198362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCP(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C46H96O6P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-28-31-34-37-40-43-46(54(50,51)52)44-41-38-35-32-29-26-23-20-21-24-27-30-33-36-39-42-45-53(47,48)49/h46H,2-45H2,1H3,(H2,47,48,49)(H2,50,51,52)