4,6-dinitro-2-(6-methylheptyl)phenol crotonate

Synonyms: "2-butenoic acid 2-isooctyl-4,6-dinitrophenyl ester", "4,6-dinitro-2-(6-methylheptyl)phenol crotonate", "Dinocap".

Source: Dinocap is a fungicide.

Identifiers:

IUPAC Name: [2-(6-methylheptyl)-4,6-dinitrophenyl] (E)-but-2-enoate
CAS Number: 39300-45-3
PubChem ID: 53249535
InChiKey: CJODAJKFLVIKHL-XBXARRHUSA-N
Canonical SMILES: CC=CC(=O)OC1=C(C=C(C=C1CCCCCC(C)C)[N+](=O)[O-])[N+](=O)[O-]

Structural Properties:

Molecular Formula: C₁₈H₂₄N₂O₆
Molecular Weight: 364.398

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 6
Number of atoms different from hydrogen: 26

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Smialowicz RJ, Luebke RW, Riddle MM. 1992. Assessment of the immunotoxic potential of the fungicide dinocap in mice. Toxicology 75(3):235-247. DOI: 10.1016/0300-483X(92)90005-Y. URL: https://www.sciencedirect.com/science/article/pii/0300483X9290005Y.