4-cyanoheptanedioic acid; ethylbenzene

Systemtic Name: 4-cyanoheptanedioic acid; ethylbenzene Openeye Name: 4-cyanoheptanedioic acid; ethylbenzene CAS Name: 4-cyanoheptanedioic acid; ethylbenzene IUPAC Name: 4-cyanoheptanedioic acid; ethylbenzene Traditional Name: 4-cyanopimelic acid; ethylbenzene Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1.C(CC(=O)O)C(CCC(=O)O)C#N

Isomeric SMILES

CCC1=CC=CC=C1.C(CC(=O)O)C(CCC(=O)O)C#N

InChI

InChI=1S/C8H11NO4.C8H10/c9-5-6(1-3-7(10)11)2-4-8(12)13;1-2-8-6-4-3-5-7-8/h6H,1-4H2,(H,10,11)(H,12,13);3-7H,2H2,1H3