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1,1-bis(2-octylphenyl)octylphosphonic acid

1,1-bis(2-octylphenyl)octylphosphonic acid

Systemtic Name:1,1-bis(2-octylphenyl)octylphosphonic acid
Openeye Name:1,1-bis(2-octylphenyl)octylphosphonic acid
CAS Name:1,1-bis(2-octylphenyl)octylphosphonic acid
IUPAC Name:1,1-bis(2-octylphenyl)octylphosphonic acid
Traditional Name:1,1-bis(2-octylphenyl)octylphosphonic acid
Formula: C36H59O3P
MolecularWeight: 570.825621
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1C(CCCCCCC)(C2=CC=CC=C2CCCCCCCC)P(=O)(O)O


Isomeric SMILES

CCCCCCCCC1=CC=CC=C1C(CCCCCCC)(C2=CC=CC=C2CCCCCCCC)P(=O)(O)O


InChI

InChI=1S/C36H59O3P/c1-4-7-10-13-15-18-25-32-27-20-22-29-34(32)36(40(37,38)39,31-24-17-12-9-6-3)35-30-23-21-28-33(35)26-19-16-14-11-8-5-2/h20-23,27-30H,4-19,24-26,31H2,1-3H3,(H2,37,38,39)


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