[10-dimethoxyphosphoryloxy-5,9-bis(oxidanyl)pyren-4-yl] dimethyl phosphate

Systemtic Name: [10-dimethoxyphosphoryloxy-5,9-bis(oxidanyl)pyren-4-yl] dimethyl phosphate Openeye Name: (10-dimethoxyphosphoryloxy-5,9-dihydroxy-pyren-4-yl) dimethyl phosphate CAS Name: phosphoric acid (10-dimethoxyphosphoryloxy-5,9-dihydroxy-4-pyrenyl) dimethyl ester IUPAC Name: (10-dimethoxyphosphoryloxy-5,9-dihydroxypyren-4-yl) dimethyl phosphate Traditional Name: phosphoric acid (10-dimethoxyphosphoryloxy-5,9-dihydroxy-pyren-4-yl) dimethyl ester Formula: C20H20O10P2 MolecularWeight: 482.314322

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(OC)OC1=C(C2=C3C(=CC=C2)C(=C(C4=CC=CC1=C43)OP(=O)(OC)OC)O)O

Isomeric SMILES

COP(=O)(OC)OC1=C(C2=C3C(=CC=C2)C(=C(C4=CC=CC1=C43)OP(=O)(OC)OC)O)O

InChI

InChI=1S/C20H20O10P2/c1-25-31(23,26-2)29-19-13-9-6-10-14-16(13)15-11(17(19)21)7-5-8-12(15)18(22)20(14)30-32(24,27-3)28-4/h5-10,21-22H,1-4H3