2-azanyl-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3,8-bis(oxidanylidene)octanoic acid

Systemtic Name: 2-azanyl-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3,8-bis(oxidanylidene)octanoic acid Openeye Name: 2-amino-2-(1,3-dioxoisoindolin-2-yl)-3,8-dioxo-octanoic acid CAS Name: 2-amino-2-(1,3-dioxo-2-isoindolyl)-3,8-dioxooctanoic acid IUPAC Name: 2-amino-2-(1,3-dioxoisoindol-2-yl)-3,8-dioxooctanoic acid Traditional Name: 2-amino-3,8-diketo-2-phthalimido-caprylic acid Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C(C(=O)CCCCC=O)(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C(C(=O)CCCCC=O)(C(=O)O)N

InChI

InChI=1S/C16H16N2O6/c17-16(15(23)24,12(20)8-2-1-5-9-19)18-13(21)10-6-3-4-7-11(10)14(18)22/h3-4,6-7,9H,1-2,5,8,17H2,(H,23,24)