4-[4-[4-[4,4-bis(oxidanyl)but-1-ynyl]phenyl]phenyl]-2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[4-[4,4-bis(oxidanyl)but-1-ynyl]phenyl]phenyl]-2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[4-(4,4-dihydroxybut-1-ynyl)phenyl]phenyl]-2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-4-oxo-butanoic acid CAS Name: 4-[4-[4-(4,4-dihydroxybut-1-ynyl)phenyl]phenyl]-2-[2-(1,3-dioxo-2-isoindolyl)ethyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[4-(4,4-dihydroxybut-1-ynyl)phenyl]phenyl]-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-oxobutanoic acid Traditional Name: 4-[4-[4-(4,4-dihydroxybut-1-ynyl)phenyl]phenyl]-4-keto-2-(2-phthalimidoethyl)butyric acid Formula: C30H25NO7 MolecularWeight: 511.522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(CC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C#CCC(O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(CC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C#CCC(O)O)C(=O)O

InChI

InChI=1S/C30H25NO7/c32-26(18-23(30(37)38)16-17-31-28(35)24-5-1-2-6-25(24)29(31)36)22-14-12-21(13-15-22)20-10-8-19(9-11-20)4-3-7-27(33)34/h1-2,5-6,8-15,23,27,33-34H,7,16-18H2,(H,37,38)