2,4-bis[2,2-bis(2-oxidanylidene-2-pentoxy-ethyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate

Systemtic Name: 2,4-bis[2,2-bis(2-oxidanylidene-2-pentoxy-ethyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate Openeye Name: 2,4-bis[2,2-bis(2-oxo-2-pentoxy-ethyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate CAS Name: 2,4-bis[2,2-bis(2-oxo-2-pentoxyethyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate IUPAC Name: 2,4-bis[2,2-bis(2-oxo-2-pentoxyethyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate Traditional Name: 2,4-bis[2,2-bis(2-amoxy-2-keto-ethyl)-1,3-dihydroperimidin-4-yl]cyclobutane-1,3-diolate Formula: C54H70N4O10-2 MolecularWeight: 935.1544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1(NC2=CC=CC3=C2C(=C(C=C3)C4C(C(C4[O-])C5=C6C7=C(C=CC=C7NC(N6)(CC(=O)OCCCCC)CC(=O)OCCCCC)C=C5)[O-])N1)CC(=O)OCCCCC

Isomeric SMILES

CCCCCOC(=O)CC1(NC2=CC=CC3=C2C(=C(C=C3)C4C(C(C4[O-])C5=C6C7=C(C=CC=C7NC(N6)(CC(=O)OCCCCC)CC(=O)OCCCCC)C=C5)[O-])N1)CC(=O)OCCCCC

InChI

InChI=1S/C54H70N4O10/c1-5-9-13-27-65-41(59)31-53(32-42(60)66-28-14-10-6-2)55-39-21-17-19-35-23-25-37(49(57-53)45(35)39)47-51(63)48(52(47)64)38-26-24-36-20-18-22-40-46(36)50(38)58-54(56-40,33-43(61)67-29-15-11-7-3)34-44(62)68-30-16-12-8-4/h17-26,47-48,51-52,55-58H,5-16,27-34H2,1-4H3/q-2