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4-[5-(1-adamantyl)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid

4-[5-(1-adamantyl)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid

Systemtic Name:4-[5-(1-adamantyl)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid
Openeye Name:4-[5-(1-adamantyl)-1,3-dioxo-isoindolin-2-yl]benzoic acid
CAS Name:4-[5-(1-adamantyl)-1,3-dioxo-2-isoindolyl]benzoic acid
IUPAC Name:4-[5-(1-adamantyl)-1,3-dioxoisoindol-2-yl]benzoic acid
Traditional Name:4-[5-(1-adamantyl)-1,3-diketo-isoindolin-2-yl]benzoic acid
Formula: C25H23NO4
MolecularWeight: 401.45442
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)C(=O)O


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)C(=O)O


InChI

InChI=1S/C25H23NO4/c27-22-20-6-3-18(25-11-14-7-15(12-25)9-16(8-14)13-25)10-21(20)23(28)26(22)19-4-1-17(2-5-19)24(29)30/h1-6,10,14-16H,7-9,11-13H2,(H,29,30)


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