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3-octadecoxy-5-(3-phosphonopropoxy)benzoic acid

3-octadecoxy-5-(3-phosphonopropoxy)benzoic acid

Systemtic Name:3-octadecoxy-5-(3-phosphonopropoxy)benzoic acid
Openeye Name:3-octadecoxy-5-(3-phosphonopropoxy)benzoic acid
CAS Name:3-octadecoxy-5-(3-phosphonopropoxy)benzoic acid
IUPAC Name:3-octadecoxy-5-(3-phosphonopropoxy)benzoic acid
Traditional Name:3-(3-phosphonopropoxy)-5-stearyloxy-benzoic acid
Formula: C28H49O7P
MolecularWeight: 528.658221
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)OCCCP(=O)(O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)OCCCP(=O)(O)O


InChI

InChI=1S/C28H49O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-34-26-22-25(28(29)30)23-27(24-26)35-20-18-21-36(31,32)33/h22-24H,2-21H2,1H3,(H,29,30)(H2,31,32,33)


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