butane-1,4-diol; 2-[2-[3-[3-[5-carboxy-1,3-bis(oxidanylidene)isoindol-2-yl]butan-2-yloxy]propoxy]ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid; dimethyl benzene-1,4-dicarboxylate

Systemtic Name: butane-1,4-diol; 2-[2-[3-[3-[5-carboxy-1,3-bis(oxidanylidene)isoindol-2-yl]butan-2-yloxy]propoxy]ethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid; dimethyl benzene-1,4-dicarboxylate Openeye Name: butane-1,4-diol; 2-[2-[3-[2-(5-carboxy-1,3-dioxo-isoindolin-2-yl)-1-methyl-propoxy]propoxy]ethyl]-1,3-dioxo-isoindoline-5-carboxylic acid; dimethyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid dimethyl ester; butane-1,4-diol; 2-[2-[3-[3-(5-carboxy-1,3-dioxo-2-isoindolyl)butan-2-yloxy]propoxy]ethyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: butane-1,4-diol; 2-[2-[3-[3-(5-carboxy-1,3-dioxoisoindol-2-yl)butan-2-yloxy]propoxy]ethyl]-1,3-dioxoisoindole-5-carboxylic acid; dimethyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid dimethyl ester; butane-1,4-diol; 2-[2-[3-[2-(5-carboxy-1,3-diketo-isoindolin-2-yl)-1-methyl-propoxy]propoxy]ethyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C41H46N2O16 MolecularWeight: 822.80774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)OCCCOCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O.COC(=O)C1=CC=C(C=C1)C(=O)OC.C(CCO)CO

Isomeric SMILES

CC(C(C)OCCCOCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O.COC(=O)C1=CC=C(C=C1)C(=O)OC.C(CCO)CO

InChI

InChI=1S/C27H26N2O10.C10H10O4.C4H10O2/c1-14(29-24(32)19-7-5-17(27(36)37)13-21(19)25(29)33)15(2)39-10-3-9-38-11-8-28-22(30)18-6-4-16(26(34)35)12-20(18)23(28)31;1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;5-3-1-2-4-6/h4-7,12-15H,3,8-11H2,1-2H3,(H,34,35)(H,36,37);3-6H,1-2H3;5-6H,1-4H2