[4-(4-phosphonooxyphenyl)carbonylphenyl] octanoate

Systemtic Name: [4-(4-phosphonooxyphenyl)carbonylphenyl] octanoate Openeye Name: [4-(4-phosphonooxybenzoyl)phenyl] octanoate CAS Name: octanoic acid [4-[oxo-(4-phosphonooxyphenyl)methyl]phenyl] ester IUPAC Name: [4-(4-phosphonooxybenzoyl)phenyl] octanoate Traditional Name: caprylic acid [4-(4-phosphonooxybenzoyl)phenyl] ester Formula: C21H25O7P MolecularWeight: 420.392761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OP(=O)(O)O

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OP(=O)(O)O

InChI

InChI=1S/C21H25O7P/c1-2-3-4-5-6-7-20(22)27-18-12-8-16(9-13-18)21(23)17-10-14-19(15-11-17)28-29(24,25)26/h8-15H,2-7H2,1H3,(H2,24,25,26)