4,7-bis(azanyl)-2-[3,4,5-tris[(2S)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]phenyl]isoindole-1,3-dione

Systemtic Name: 4,7-bis(azanyl)-2-[3,4,5-tris[(2S)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]phenyl]isoindole-1,3-dione Openeye Name: 4,7-diamino-2-[3,4,5-tris[(2S)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]phenyl]isoindoline-1,3-dione CAS Name: 4,7-diamino-2-[3,4,5-tris[(2S)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]phenyl]isoindole-1,3-dione IUPAC Name: 4,7-diamino-2-[3,4,5-tris[(2S)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]phenyl]isoindole-1,3-dione Traditional Name: 4,7-diamino-2-[3,4,5-tris[(2S)-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propoxy]phenyl]isoindoline-1,3-quinone Formula: C50H83N3O20 MolecularWeight: 1046.20212

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC(=CC(=C1OCC(C)OCCOCCOCCOCCOC)OCC(C)OCCOCCOCCOCCOC)N2C(=O)C3=C(C=CC(=C3C2=O)N)N)OCCOCCOCCOCCOC

Isomeric SMILES

C[C@@H](COC1=CC(=CC(=C1OC[C@H](C)OCCOCCOCCOCCOC)OC[C@H](C)OCCOCCOCCOCCOC)N2C(=O)C3=C(C=CC(=C3C2=O)N)N)OCCOCCOCCOCCOC

InChI

InChI=1S/C50H83N3O20/c1-38(68-30-27-65-24-21-62-18-15-59-12-9-56-4)35-71-44-33-41(53-49(54)46-42(51)7-8-43(52)47(46)50(53)55)34-45(72-36-39(2)69-31-28-66-25-22-63-19-16-60-13-10-57-5)48(44)73-37-40(3)70-32-29-67-26-23-64-20-17-61-14-11-58-6/h7-8,33-34,38-40H,9-32,35-37,51-52H2,1-6H3/t38-,39-,40-/m0/s1