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4-[[oxidanyl(pyren-2-yloxy)phosphoryl]oxymethyl]benzoic acid

4-[[oxidanyl(pyren-2-yloxy)phosphoryl]oxymethyl]benzoic acid

Systemtic Name:4-[[oxidanyl(pyren-2-yloxy)phosphoryl]oxymethyl]benzoic acid
Openeye Name:4-[[hydroxy(pyren-2-yloxy)phosphoryl]oxymethyl]benzoic acid
CAS Name:4-[[hydroxy(2-pyrenyloxy)phosphoryl]oxymethyl]benzoic acid
IUPAC Name:4-[[hydroxy(pyren-2-yloxy)phosphoryl]oxymethyl]benzoic acid
Traditional Name:4-[[hydroxy(pyren-2-yloxy)phosphoryl]oxymethyl]benzoic acid
Formula: C24H17O6P
MolecularWeight: 432.361941
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4)OP(=O)(O)OCC5=CC=C(C=C5)C(=O)O)C=C2


Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4)OP(=O)(O)OCC5=CC=C(C=C5)C(=O)O)C=C2


InChI

InChI=1S/C24H17O6P/c25-24(26)18-6-4-15(5-7-18)14-29-31(27,28)30-21-12-19-10-8-16-2-1-3-17-9-11-20(13-21)23(19)22(16)17/h1-13H,14H2,(H,25,26)(H,27,28)


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