bis[1,3-bis(oxidanylidene)-1,3-bis(2-oxidanylidene-2-phenylmethoxy-ethoxy)propan-2-yl] butanedioate

Systemtic Name: bis[1,3-bis(oxidanylidene)-1,3-bis(2-oxidanylidene-2-phenylmethoxy-ethoxy)propan-2-yl] butanedioate Openeye Name: bis[2-(2-benzyloxy-2-oxo-ethoxy)-1-(2-benzyloxy-2-oxo-ethoxy)carbonyl-2-oxo-ethyl] butanedioate CAS Name: butanedioic acid bis[1,3-dioxo-1,3-bis(2-oxo-2-phenylmethoxyethoxy)propan-2-yl] ester IUPAC Name: bis[1,3-dioxo-1,3-bis(2-oxo-2-phenylmethoxyethoxy)propan-2-yl] butanedioate Traditional Name: succinic acid bis[2-(2-benzoxy-2-keto-ethoxy)-1-(2-benzoxy-2-keto-ethoxy)carbonyl-2-keto-ethyl] ester Formula: C46H42O20 MolecularWeight: 914.81368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)COC(=O)C(C(=O)OCC(=O)OCC2=CC=CC=C2)OC(=O)CCC(=O)OC(C(=O)OCC(=O)OCC3=CC=CC=C3)C(=O)OCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)COC(=O)C(C(=O)OCC(=O)OCC2=CC=CC=C2)OC(=O)CCC(=O)OC(C(=O)OCC(=O)OCC3=CC=CC=C3)C(=O)OCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C46H42O20/c47-35(65-41(43(53)61-27-37(49)57-23-31-13-5-1-6-14-31)44(54)62-28-38(50)58-24-32-15-7-2-8-16-32)21-22-36(48)66-42(45(55)63-29-39(51)59-25-33-17-9-3-10-18-33)46(56)64-30-40(52)60-26-34-19-11-4-12-20-34/h1-20,41-42H,21-30H2