2,5-bis[[2-(3-oxidanylidenebutanoyl)phenyl]amino]terephthalic acid

Systemtic Name: 2,5-bis[[2-(3-oxidanylidenebutanoyl)phenyl]amino]terephthalic acid Openeye Name: 2,5-bis[2-(3-oxobutanoyl)anilino]terephthalic acid CAS Name: 2,5-bis[2-(1,3-dioxobutyl)anilino]terephthalic acid IUPAC Name: 2,5-bis[2-(3-oxobutanoyl)anilino]terephthalic acid Traditional Name: 2,5-bis(2-acetoacetylanilino)terephthalic acid Formula: C28H24N2O8 MolecularWeight: 516.49876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=CC=CC=C1NC2=CC(=C(C=C2C(=O)O)NC3=CC=CC=C3C(=O)CC(=O)C)C(=O)O

Isomeric SMILES

CC(=O)CC(=O)C1=CC=CC=C1NC2=CC(=C(C=C2C(=O)O)NC3=CC=CC=C3C(=O)CC(=O)C)C(=O)O

InChI

InChI=1S/C28H24N2O8/c1-15(31)11-25(33)17-7-3-5-9-21(17)29-23-13-20(28(37)38)24(14-19(23)27(35)36)30-22-10-6-4-8-18(22)26(34)12-16(2)32/h3-10,13-14,29-30H,11-12H2,1-2H3,(H,35,36)(H,37,38)