2-(phenylmethyl)pentanedioate; tetrabutylazanium

Systemtic Name: 2-(phenylmethyl)pentanedioate; tetrabutylazanium Openeye Name: 2-benzylpentanedioate; tetrabutylammonium CAS Name: 2-(phenylmethyl)pentanedioate; tetrabutylammonium IUPAC Name: 2-benzylpentanedioate; tetrabutylazanium Traditional Name: 2-benzylglutarate; tetrabutylammonium Formula: C28H48NO4- MolecularWeight: 462.68502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)CC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)CC(CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H36N.C12H14O4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;13-11(14)7-6-10(12(15)16)8-9-4-2-1-3-5-9/h5-16H2,1-4H3;1-5,10H,6-8H2,(H,13,14)(H,15,16)/q+1;/p-2