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2,2-bis(4-nitrophenyl)octanoate

2,2-bis(4-nitrophenyl)octanoate

Systemtic Name:2,2-bis(4-nitrophenyl)octanoate
Openeye Name:2,2-bis(4-nitrophenyl)octanoate
CAS Name:2,2-bis(4-nitrophenyl)octanoate
IUPAC Name:2,2-bis(4-nitrophenyl)octanoate
Traditional Name:2,2-bis(4-nitrophenyl)caprylate
Formula: C20H21N2O6-
MolecularWeight: 385.39054
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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)/p-1


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