ditert-butyl 2,5-bis(diphenoxyphosphoryloxy)pyrazine-1,4-dicarboxylate

Systemtic Name: ditert-butyl 2,5-bis(diphenoxyphosphoryloxy)pyrazine-1,4-dicarboxylate Openeye Name: ditert-butyl 2,5-bis(diphenoxyphosphoryloxy)pyrazine-1,4-dicarboxylate CAS Name: 2,5-bis(diphenoxyphosphoryloxy)pyrazine-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,5-bis(diphenoxyphosphoryloxy)pyrazine-1,4-dicarboxylate Traditional Name: 2,5-bis(diphenoxyphosphoryloxy)pyrazine-1,4-dicarboxylic acid ditert-butyl ester Formula: C38H40N2O12P2 MolecularWeight: 778.677922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(N(C=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C(=O)OC(C)(C)C)OP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(N(C=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C(=O)OC(C)(C)C)OP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C38H40N2O12P2/c1-37(2,3)45-35(41)39-27-34(52-54(44,49-31-23-15-9-16-24-31)50-32-25-17-10-18-26-32)40(36(42)46-38(4,5)6)28-33(39)51-53(43,47-29-19-11-7-12-20-29)48-30-21-13-8-14-22-30/h7-28H,1-6H3