sodium; benzene; 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: sodium; benzene; 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: sodium; benzene; 6-(1,3-dioxoisoindolin-2-yl)hexanoate CAS Name: sodium; benzene; 6-(1,3-dioxo-2-isoindolyl)hexanoate IUPAC Name: sodium; benzene; 6-(1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: sodium; benzene; 6-phthalimidohexanoate Formula: C20H20NNaO4 MolecularWeight: 361.36687

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CC=C1.C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=CC=C1.C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C14H15NO4.C6H6.Na/c16-12(17)8-2-1-5-9-15-13(18)10-6-3-4-7-11(10)14(15)19;1-2-4-6-5-3-1;/h3-4,6-7H,1-2,5,8-9H2,(H,16,17);1-6H;/q;;+1/p-1