2,2-bis(4-nitrophenyl)octanoic acid

Systemtic Name: 2,2-bis(4-nitrophenyl)octanoic acid Openeye Name: 2,2-bis(4-nitrophenyl)octanoic acid CAS Name: 2,2-bis(4-nitrophenyl)octanoic acid IUPAC Name: 2,2-bis(4-nitrophenyl)octanoic acid Traditional Name: 2,2-bis(4-nitrophenyl)caprylic acid Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CC=C(C=C1)[N+](=O)[O-])(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCC(C1=CC=C(C=C1)[N+](=O)[O-])(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H22N2O6/c1-2-3-4-5-14-20(19(23)24,15-6-10-17(11-7-15)21(25)26)16-8-12-18(13-9-16)22(27)28/h6-13H,2-5,14H2,1H3,(H,23,24)